SCHEMBL688231

SCHEMBL688231

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2cccn(Cc3cccc(O)c3)c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
CYP2C9 P11712 2/20 0.53
HPGD P15428 2/20 0.53
CYP2C19 P33261 2/20 0.53
PTGER3 P43115 6/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 2/20 0.46
ITGB1 P05556 6/20 0.45
ITGA4 P13612 6/20 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
SCHEMBL687613 0.90 PTGER3 (0.55) KDM4EALDH1A1MEN1KMT2ACYP2C9
SCHEMBL688548 0.89 MAPT (0.64) KDM4EALDH1A1MEN1KMT2ACYP2C9
SCHEMBL687856 0.86 ALDH1A1 (0.58) KDM4EALDH1A1MEN1KMT2ACYP2C9
SCHEMBL688469 0.86 KDM4E (0.58) KDM4EALDH1A1MEN1KMT2ACYP2C9
SCHEMBL687857 0.85 PTGER3 (0.55) KDM4EALDH1A1MEN1KMT2ACYP2C9
SCHEMBL686748 0.84 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2ACYP2C9
SCHEMBL688126 0.84 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2ACYP2C9
SCHEMBL687859 0.83 ALDH1A1 (0.59) KDM4EALDH1A1MEN1KMT2ACYP2C9
SCHEMBL687877 0.83 ALDH1A1 (0.59) KDM4EALDH1A1MEN1KMT2ACYP2C9
SCHEMBL687422 0.83 PTGER3 (0.54) KDM4EALDH1A1MEN1KMT2ACYP2C9

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