SCHEMBL688388

SCHEMBL688388

CC(=O)Nc1ccc(Br)c(Cn2cccc(NC(=O)N[C@@H](CC(=O)O)c3ccc(C)cc3)c2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 8/20 0.48
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
ITGB1 P05556 8/20 0.44
ITGA4 P13612 8/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 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
SCHEMBL688211 0.90 PTGER3 (0.46) PTGER3ALDH1A1MEN1KMT2AKDM4E
SCHEMBL687966 0.88 ALDH1A1 (0.46) PTGER3ALDH1A1MEN1KMT2AKDM4E
SCHEMBL686756 0.88 ALDH1A1 (0.46) PTGER3ALDH1A1MEN1KMT2AKDM4E
SCHEMBL27587259 0.87 ALDH1A1 (0.55) PTGER3ALDH1A1MEN1KMT2AKDM4E
SCHEMBL686984 0.87 ALDH1A1 (0.55) PTGER3ALDH1A1MEN1KMT2AKDM4E
SCHEMBL687142 0.85 MAPT (0.44) PTGER3ALDH1A1MEN1KMT2AKDM4E
SCHEMBL686550 0.83 PTGER3 (0.49) PTGER3ALDH1A1MEN1KMT2AKDM4E
SCHEMBL686757 0.83 PTGER3 (0.49) PTGER3ALDH1A1MEN1KMT2AKDM4E
SCHEMBL687536 0.82 PTGER3 (0.55) PTGER3ALDH1A1MEN1KMT2AKDM4E
SCHEMBL687422 0.81 PTGER3 (0.54) PTGER3ALDH1A1MEN1KMT2AKDM4E

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