SCHEMBL4861546

SCHEMBL4861546

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
HDAC3 O15379 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
FFAR3 O14843 4/20 0.38
CTSD P07339 1/20 0.37
TSHR P16473 1/20 0.36
HDAC6 Q9UBN7 1/20 0.33
FAAH O00519 3/20 0.31
TDP1 Q9NUW8 2/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
SOAT1 P35610 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4621796 0.83 FFAR3 (0.42) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL8884306 0.83 FFAR3 (0.42) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL3357443 0.81 TDP1 (0.35) ALDH1A1FFAR3TDP1
SCHEMBL4855321 0.81 TDP1 (0.35) ALDH1A1FFAR3TDP1
SCHEMBL3357465 0.80 ALDH1A1 (0.40) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL28284837 0.78 CES2 (0.47) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL9152062 0.78 ALDH1A1 (0.39) ALDH1A1CES2CES1HDAC3HDAC1
Ammonia Solution, Strong SCHEMBL27555453 0.78 ALDH1A1 (0.39) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL8688580 0.78 TDP1 (0.41) ALDH1A1CES2CES1FFAR3TSHR
SCHEMBL1831174 0.78 TDP1 (0.41) ALDH1A1CES2CES1FFAR3TSHR

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0118327-B1 CATIONIC LATICES FROM CONJUGATED DIENES RHONE-POULENC CHIMIE (FR) 1987-04-22 EP claimed
US-7442244-B2 Water-base ink composition SEIKO EPSON CORPORATION (JP) 2008-10-28 US disclosed
EP-1688465-A1 WATER-BASED INK COMPOSITION AND METHOD OF INK-JET RECORDING WITH THE SAME SEIKO EPSON CORPORATION (JP) 2006-08-09 EP disclosed
US-20050235870-A1 2-ethyl-1,3-hexanediol, acetylene glycol surfactant and/or penetrating organic solvent, and humectant; ink jet printing; highly stably ejected and evenly printed on recording media; clogged nozzle problem prevented SEIKO EPSON CORPORATION 2005-10-27 US disclosed
US-6877851-B2 Ink set for ink jet recording, ink jet recording process, and recorded matter SEIKO EPSON CORPORATION (JP) 2005-04-12 US disclosed
US-20040239738-A1 Ink set for ink jet recording, ink jet recording process, and recorded matter SEIKO EPSON CORPORATION 2004-12-02 US disclosed
EP-1006987-A1 HOMOPOLYMERS PREPARED FROM AMMONIUM QUATERNARY SALTS OF AMINOALKYLACRYLAMIDES RHODIA INC. (US) 2000-06-14 EP disclosed
WO-1998030196-A1 HOMOPOLYMERS PREPARED FROM AMMONIUM QUATERNARY SALTS OF AMINOALKYLACRYLAMIDES RHODIA, INC. (US) 1998-07-16 WO disclosed
EP-0848723-A1 POWDERY POROUS POLYMERS CONTAINING N-VINYLIMIDAZOL UNITS, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1998-06-24 EP disclosed
EP-0828763-A1 POLYMER AND SURFACTANT MIXTURES, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1998-03-18 EP disclosed
WO-1997009359-A1 POWDERY POROUS POLYMERS CONTAINING N-VINYLIMIDAZOL UNITS, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-03-13 WO disclosed
WO-1996037524-A1 POLYMER AND SURFACTANT MIXTURES, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1996-11-28 WO disclosed
EP-0605567-A4 WATER-SOLUBLE FORMULATION FOR MASKING AND THE LIKE, AND METHOD UTILIZING THE SAME. DYMAX CORP (US) 1995-08-30 EP disclosed
EP-0605567-A1 WATER-SOLUBLE FORMULATION FOR MASKING AND THE LIKE, AND METHOD UTILIZING THE SAME DYMAX CORPORATION (US) 1994-07-13 EP disclosed
WO-1993005889-A1 WATER-SOLUBLE FORMULATION FOR MASKING AND THE LIKE, AND METHOD UTILIZING THE SAME DYMAX CORPORATION (US) 1993-04-01 WO disclosed
EP-0331528-A1 Antimicrobial ethylene copolymers and compositions thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-09-06 EP disclosed
EP-0290205-A1 Electrical storage accumulators containing electrolyte retention means SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-11-09 EP disclosed
EP-0289330-A2 Thermoplastic spun conjugate fibers and nonwoven molding thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-11-02 EP disclosed