SCHEMBL687536

SCHEMBL687536

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2cccn(Cc3ccccc3C)c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 7/20 0.55
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HPGD P15428 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ITGB1 P05556 9/20 0.47
ITGA4 P13612 9/20 0.47
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL687422 0.91 PTGER3 (0.54) PTGER3KDM4EALDH1A1MEN1KMT2A
SCHEMBL686757 0.91 PTGER3 (0.49) PTGER3KDM4EALDH1A1MEN1KMT2A
SCHEMBL687891 0.91 PTGER3 (0.69) PTGER3KDM4EALDH1A1MEN1KMT2A
SCHEMBL27587259 0.91 ALDH1A1 (0.55) PTGER3KDM4EALDH1A1MEN1KMT2A
SCHEMBL686984 0.91 ALDH1A1 (0.55) PTGER3KDM4EALDH1A1MEN1KMT2A
SCHEMBL27568079 0.91 KDM4E (0.61) PTGER3KDM4EALDH1A1MEN1KMT2A
SCHEMBL686950 0.91 KDM4E (0.61) PTGER3KDM4EALDH1A1MEN1KMT2A
SCHEMBL687230 0.90 PTGER3 (0.52) PTGER3KDM4EALDH1A1MEN1KMT2A
SCHEMBL687440 0.89 PTGER3 (0.55) PTGER3KDM4EALDH1A1MEN1KMT2A
SCHEMBL687320 0.88 PTGER3 (0.51) PTGER3KDM4EALDH1A1MEN1KMT2A

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