SCHEMBL6209765

SCHEMBL6209765

CCC/C=C(\C(N)=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
TSHR P16473 3/20 0.43
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C19 P33261 3/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
PARP1 P09874 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CES2 O00748 5/20 0.42
CES1 P23141 5/20 0.42
LMNA P02545 2/20 0.41
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39
AKR1C1 Q04828 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3864054 0.90 CES2 (0.45) CYP3A4TSHRCYP1A2ALDH1A1CYP2C19
SCHEMBL29033074 0.87 CES2 (0.47) CYP3A4CYP1A2CYP2C19CES2CES1
SCHEMBL2727707 0.87 CES2 (0.47) CYP3A4CYP1A2CYP2C19CES2CES1
SCHEMBL8041709 0.85 AKR1C1 (0.50) CYP3A4TSHRCYP1A2ALDH1A1CYP2C19
SCHEMBL16246414 0.85 MAPT (0.45) CYP3A4TSHRALDH1A1CYP2C19MAPT
SCHEMBL6259485 0.85 AKR1C1 (0.50) CYP3A4TSHRCYP1A2ALDH1A1CYP2C19
SCHEMBL8041704 0.85 AKR1C1 (0.50) CYP3A4TSHRCYP1A2ALDH1A1CYP2C19
SCHEMBL1028536 0.85 MAPT (0.45) CYP3A4TSHRALDH1A1CYP2C19MAPT
SCHEMBL14763931 0.84 CES2 (0.45) CYP3A4TSHRCYP1A2ALDH1A1CYP2C19
SCHEMBL6963015 0.84 CYP3A4 (0.48) CYP3A4TSHRCYP1A2ALDH1A1CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1069943-B1 LARGE PORE VOLUME COMPOSITE MINERAL OXIDE BEADS, THEIR PREPARATION AND THEIR APPLICATIONS FOR ADSORPTION AND CHROMATOGRAPHY PALL CORP (US) 2005-07-06 EP claimed
EP-1071500-B1 SMALL DENSE MICROPOROUS SOLID SUPPORT MATERIALS, THEIR PREPARATION, AND USE FOR PURIFICATION OF LARGE MACROMOLECULES AND BIOPARTICLES CIPHERGEN BIOSYSTEMS INC (US) 2005-03-02 EP claimed
US-6613234-B2 Stability; titanium, zirconium, hafnium oxide CIPHERGEN BIOSYSTEMS, INC. 2003-09-02 US claimed
US-20020104801-A1 SMALL DENSE MICROPOROUS SOLID SUPPORT MATERIALS, THEIR PREPARATION,AND USE FOR PURIFICATION OF LARGE MACROMOLECULES AND BIOPARTICLES Life Technologies Corporation 2002-08-08 US claimed
US-20020005383-A1 LARGE PORE VOLUME COMPOSITE MINERAL OXIDE BEADS, THEIR PREPARATION AND THEIR APPLICATIONS FOR ADSORPTION AND CHROMATOGRAPHY Life Technologies Corporation 2002-01-17 US claimed
EP-1071500-A1 SMALL DENSE MICROPOROUS SOLID SUPPORT MATERIALS, THEIR PREPARATION, AND USE FOR PURIFICATION OF LARGE MACROMOLECULES AND BIOPARTICLES Life Technologies, Inc. (US) 2001-01-31 EP claimed
EP-1069943-A1 LARGE PORE VOLUME COMPOSITE MINERAL OXIDE BEADS, THEIR PREPARATION AND THEIR APPLICATIONS FOR ADSORPTION AND CHROMATOGRAPHY LIFE TECHNOLOGIES, INC. (US) 2001-01-24 EP claimed
WO-1999051335-A1 LARGE PORE VOLUME COMPOSITE MINERAL OXIDE BEADS, THEIR PREPARATION AND THEIR APPLICATIONS FOR ADSORPTION AND CHROMATOGRAPHY LIFE TECHNOLOGIES, INC. (US) 1999-10-14 WO claimed
WO-1999051316-A1 SMALL DENSE MICROPOROUS SOLID SUPPORT MATERIALS, THEIR PREPARATION, AND USE FOR PURIFICATION OF LARGE MACROMOLECULES AND BIOPARTICLES LIFE TECHNOLOGIES, INC. (US) 1999-10-14 WO claimed
US-20050269257-A1 Small dense microporous solid support materials, their preparation, and use for purification for large macromolecules and bioparticles PALL CORPORATION (US) 2005-12-08 US disclosed
EP-1069943-B1 LARGE PORE VOLUME COMPOSITE MINERAL OXIDE BEADS, THEIR PREPARATION AND THEIR APPLICATIONS FOR ADSORPTION AND CHROMATOGRAPHY PALL CORP (US) 2005-07-06 EP disclosed
EP-1071500-B1 SMALL DENSE MICROPOROUS SOLID SUPPORT MATERIALS, THEIR PREPARATION, AND USE FOR PURIFICATION OF LARGE MACROMOLECULES AND BIOPARTICLES CIPHERGEN BIOSYSTEMS INC (US) 2005-03-02 EP disclosed
US-6613234-B2 Stability; titanium, zirconium, hafnium oxide CIPHERGEN BIOSYSTEMS, INC. 2003-09-02 US disclosed
US-20020104801-A1 SMALL DENSE MICROPOROUS SOLID SUPPORT MATERIALS, THEIR PREPARATION,AND USE FOR PURIFICATION OF LARGE MACROMOLECULES AND BIOPARTICLES Life Technologies Corporation 2002-08-08 US disclosed
US-20020005383-A1 LARGE PORE VOLUME COMPOSITE MINERAL OXIDE BEADS, THEIR PREPARATION AND THEIR APPLICATIONS FOR ADSORPTION AND CHROMATOGRAPHY Life Technologies Corporation 2002-01-17 US disclosed
EP-1071500-A1 SMALL DENSE MICROPOROUS SOLID SUPPORT MATERIALS, THEIR PREPARATION, AND USE FOR PURIFICATION OF LARGE MACROMOLECULES AND BIOPARTICLES Life Technologies, Inc. (US) 2001-01-31 EP disclosed
EP-1069943-A1 LARGE PORE VOLUME COMPOSITE MINERAL OXIDE BEADS, THEIR PREPARATION AND THEIR APPLICATIONS FOR ADSORPTION AND CHROMATOGRAPHY LIFE TECHNOLOGIES, INC. (US) 2001-01-24 EP disclosed
WO-1999051335-A1 LARGE PORE VOLUME COMPOSITE MINERAL OXIDE BEADS, THEIR PREPARATION AND THEIR APPLICATIONS FOR ADSORPTION AND CHROMATOGRAPHY LIFE TECHNOLOGIES, INC. (US) 1999-10-14 WO disclosed
WO-1999051316-A1 SMALL DENSE MICROPOROUS SOLID SUPPORT MATERIALS, THEIR PREPARATION, AND USE FOR PURIFICATION OF LARGE MACROMOLECULES AND BIOPARTICLES LIFE TECHNOLOGIES, INC. (US) 1999-10-14 WO disclosed