SCHEMBL686997

SCHEMBL686997

CSc1ccc(C(CC(=O)O)NC(=O)Nc2c(O)c(C)cn(Cc3ccccc3Cl)c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 10/20 0.39
CNR2 P34972 1/20 0.39
FPR2 P25090 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
CTSA P10619 1/20 0.35
ATM Q13315 1/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL688053 0.92 PTGER3 (0.43) PTGER3CNR2SLC22A12KDM4EMAPT
SCHEMBL688284 0.92 PTGER3 (0.43) PTGER3CNR2FPR2SLC22A12KDM4E
SCHEMBL686896 0.92 PTGER3 (0.44) PTGER3CNR2SLC22A12CTSA
SCHEMBL29371834 0.92 PTGER3 (0.44) PTGER3CNR2SLC22A12CTSA
SCHEMBL687923 0.91 PTGER3 (0.41) PTGER3CNR2SLC22A12CTSA
SCHEMBL688581 0.89 PTGER3 (0.44) PTGER3CNR2FPR2SLC22A12KDM4E
SCHEMBL686842 0.89 PTGER3 (0.45) PTGER3CNR2FPR2SLC22A12MAPT
SCHEMBL688170 0.88 PTGER3 (0.41) PTGER3CNR2SLC22A12KDM4EMAPT
SCHEMBL687977 0.88 ITGB1 (0.41) PTGER3CNR2SLC22A12CTSA
SCHEMBL688460 0.88 PTGER3 (0.39) PTGER3CNR2SLC22A12KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP disclosed