SCHEMBL7449933

SCHEMBL7449933

CC(=Cc1ccccc1C=C(C)C(N)=O)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.43
SLC9A3 P48764 3/20 0.42
SLC9A1 P19634 2/20 0.42
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC9A2 Q9UBY0 1/20 0.38
MCL1 Q07820 1/20 0.37
HSD11B1 P28845 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
TRPA1 O75762 1/20 0.36
HIF1A Q16665 1/20 0.36
POLB P06746 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL3865338 0.88 MAPT (0.52) AKR1C3MAPTLMNAKDM4ETRPA1
SCHEMBL8001495 0.88 AKR1C3 (0.38) AKR1C3SLC9A3SLC9A1MAPTLMNA
SCHEMBL4744668 0.88 ALDH1A1 (0.47) AKR1C3SLC9A3SLC9A1MAPTLMNA
SCHEMBL224822 0.88 MAPT (0.52) AKR1C3MAPTLMNAKDM4ETRPA1
SCHEMBL17983460 0.86 LMNA (0.37) AKR1C3SLC9A3SLC9A1MAPTLMNA
SCHEMBL9068444 0.85 ALDH1A1 (0.45) AKR1C3LMNAKDM4ECYP1A2CYP2C9
SCHEMBL937372 0.85 ALDH1A1 (0.45) AKR1C3LMNAKDM4ECYP1A2CYP2C9
SCHEMBL553714 0.83 KDM4E (0.57) MAPTLMNAKDM4ECYP1A2CYP2C9
SCHEMBL21198000 0.83 KDM4E (0.56) MAPTLMNAKDM4ECYP1A2CYP2C9
SCHEMBL31602276 0.83 KDM4E (0.57) MAPTLMNAKDM4ECYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084150-A4 CARBOXYLIC CATIONITES AND METHODS OF MANUFACTURE POLYGRAN LTD (IL) 2002-05-22 EP claimed
EP-1084150-A1 CARBOXYLIC CATIONITES AND METHODS OF MANUFACTURE Polygran Ltd. (IL) 2001-03-21 EP claimed
WO-1999058577-A1 CARBOXYLIC CATIONITES AND METHODS OF MANUFACTURE POLYGRAN LTD. (IL) 1999-11-18 WO claimed
EP-3068811-A1 METHOD OF PREPARING CHROMATOGRAPHIC MATERIALS New Proteintech Inc. (IL) 2016-09-21 EP disclosed
WO-2015071913-A1 METHOD OF PREPARING CHROMATOGRAPHIC MATERIALS NEW PROTEINTECH INC. (IL) 2015-05-21 WO disclosed
US-4175964-A SUCCESSIVE SURFACE TREATMENT WITH AQUEOUS SOLUTIONS OF PHOSPHORIC ACID AND SILICIC ACID OR ITS SALTS FUJI PHOTO FILM CO., LTD. (JP) 1979-11-27 US disclosed