SCHEMBL714562

SCHEMBL714562

COc1c(C)cc([C@H](CC(=O)O)NC(=O)Nc2c(O)ccn(Cc3ccccc3Cl)c2=O)cc1C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 14/20 0.43
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE7A Q13946 1/20 0.38
LCK P06239 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL688289 0.93 PTGER3 (0.47) PTGER3MAPTALDH1A1KDM4EMAPK1
SCHEMBL687114 0.91 PTGER3 (0.45) PTGER3MAPTALDH1A1SMN1; SMN2
SCHEMBL687333 0.91 PTGER3 (0.47) PTGER3MAPTALDH1A1KDM4EMAPK1
SCHEMBL688236 0.91 PTGER3 (0.47) PTGER3MAPTALDH1A1KDM4EMAPK1
SCHEMBL687155 0.90 PTGER3 (0.44) PTGER3ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL687647 0.90 PTGER3 (0.44) PTGER3MAPTALDH1A1KDM4EMAPK1
SCHEMBL688250 0.90 PTGER3 (0.45) PTGER3MAPTALDH1A1SMN1; SMN2
SCHEMBL687117 0.89 PTGER3 (0.52) PTGER3MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL687524 0.88 PTGER3 (0.45) PTGER3MAPTALDH1A1KDM4EMAPK1
SCHEMBL687418 0.88 PTGER3 (0.46) PTGER3ALDH1A1KDM4EMAPK1SMN1; SMN2

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