SCHEMBL688223

SCHEMBL688223

COc1ccc(Cn2cccc(NC(=O)N[C@@H](CC(=O)O)c3ccc4c(c3)OCO4)c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 9/20 0.55
KDM4E B2RXH2 7/20 0.55
MAPT P10636 5/20 0.55
MAPK1 P28482 2/20 0.55
RECQL P46063 1/20 0.55
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 4/20 0.51
RAB9A P51151 1/20 0.49
LCK P06239 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
FPR1 P21462 1/20 0.45

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
SCHEMBL686731 0.91 MAPT (0.55) PTGER3KDM4EMAPTKMT2AALDH1A1
SCHEMBL687571 0.91 ALDH1A1 (0.50) PTGER3KDM4EMAPTMAPK1KMT2A
SCHEMBL688325 0.90 ALDH1A1 (0.51) PTGER3KDM4EMAPTKMT2AALDH1A1
SCHEMBL695420 0.90 MAPT (0.54) PTGER3KDM4EMAPTMAPK1RECQL
SCHEMBL4700630 0.88 MAPT (0.44) PTGER3KDM4EMAPTMAPK1KMT2A
SCHEMBL688073 0.88 ALDH1A1 (0.44) PTGER3KDM4EMAPTMAPK1KMT2A
SCHEMBL687518 0.87 LMNA (0.46) PTGER3KDM4EMAPTKMT2AALDH1A1
SCHEMBL687922 0.87 PTGER3 (0.50) PTGER3KDM4EKMT2AALDH1A1MEN1
SCHEMBL27587415 0.87 LMNA (0.46) PTGER3KDM4EMAPTKMT2AALDH1A1
SCHEMBL688224 0.86 PTGER3 (0.51) PTGER3KDM4EMAPTKMT2AALDH1A1

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