SCHEMBL688053

SCHEMBL688053

Cc1cn(Cc2ccccc2Cl)c(=O)c(NC(=O)N[C@@H](CC(=O)O)c2ccccc2)c1O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 12/20 0.43
CNR2 P34972 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CTSA P10619 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL686896 0.95 PTGER3 (0.44) PTGER3CNR2SLC22A12CTSA
SCHEMBL29371834 0.95 PTGER3 (0.44) PTGER3CNR2SLC22A12CTSA
SCHEMBL688284 0.95 PTGER3 (0.43) PTGER3CNR2SLC22A12MAPTKDM4E
SCHEMBL687923 0.95 PTGER3 (0.41) PTGER3CNR2SLC22A12CTSA
SCHEMBL688442 0.94 PTGER3 (0.42) PTGER3CNR2SLC22A12MAPTTP53
SCHEMBL688581 0.93 PTGER3 (0.44) PTGER3CNR2SLC22A12KDM4EALDH1A1
SCHEMBL686842 0.92 PTGER3 (0.45) PTGER3CNR2SLC22A12MAPTALDH1A1
SCHEMBL686997 0.92 PTGER3 (0.39) PTGER3CNR2SLC22A12MAPTKDM4E
SCHEMBL688170 0.92 PTGER3 (0.41) PTGER3CNR2SLC22A12MAPTKDM4E
SCHEMBL688460 0.92 PTGER3 (0.39) PTGER3CNR2SLC22A12MAPTKDM4E

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