SCHEMBL687936

SCHEMBL687936

COc1ccc([C@H](CC(=O)O)NC(=O)Nc2cccn(Cc3cccs3)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
MAPT P10636 6/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
PTGER3 P43115 7/20 0.47
RECQL P46063 2/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
LCK P06239 1/20 0.42
RAB9A P51151 1/20 0.41
THRB P10828 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL688134 0.92 PTGER3 (0.46) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL687240 0.91 PTGER3 (0.51) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL687917 0.90 KDM4E (0.47) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL687831 0.90 ALDH1A1 (0.45) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL688383 0.89 ALDH1A1 (0.46) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL686746 0.88 CYP26A1 (0.40) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL687884 0.87 PTGER3 (0.42) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL688850 0.87 PTGER3 (0.41) KDM4EALDH1A1MEN1KMT2APTGER3
SCHEMBL687576 0.82 ALDH1A1 (0.48) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL687769 0.82 PTGER3 (0.62) KDM4EMAPTALDH1A1MEN1KMT2A

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