SCHEMBL688289

SCHEMBL688289

COc1cc([C@H](CC(=O)O)NC(=O)Nc2c(O)ccn(Cc3ccccc3Cl)c2=O)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 10/20 0.47
PDE7A Q13946 1/20 0.44
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL687333 0.94 PTGER3 (0.47) PTGER3PDE7AMAPTTP53ALDH1A1
SCHEMBL714562 0.93 PTGER3 (0.43) PTGER3PDE7AMAPTALDH1A1KDM4E
SCHEMBL687904 0.92 PTGER3 (0.47) PTGER3MAPTTP53ALDH1A1POLB
SCHEMBL688250 0.91 PTGER3 (0.45) PTGER3MAPTTP53ALDH1A1POLB
SCHEMBL688236 0.90 PTGER3 (0.47) PTGER3MAPTALDH1A1KDM4EMAPK1
SCHEMBL687909 0.89 SMN1; SMN2 (0.49) PTGER3MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL687114 0.89 PTGER3 (0.45) PTGER3MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL687711 0.88 PTGER3 (0.45) PTGER3MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL687520 0.88 PTGER3 (0.42) PTGER3PDE7AMAPTALDH1A1POLB
SCHEMBL687117 0.88 PTGER3 (0.52) PTGER3MAPTALDH1A1KDM4ESMN1; 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 3 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-1176956-B1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-01-09 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