SCHEMBL687922

SCHEMBL687922

COc1ccccc1Cn1cccc(NC(=O)N[C@@H](CC(=O)O)c2ccc3c(c2)OCO3)c1=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 7/20 0.50
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.43
ITGB1 P05556 2/20 0.43
ITGA4 P13612 2/20 0.43
EDNRB P24530 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL687886 0.88 PTGER3 (0.56) PTGER3KMT2AKDM4EMEN1ALDH1A1
SCHEMBL687428 0.88 PTGER3 (0.56) PTGER3KMT2AKDM4EMEN1ALDH1A1
SCHEMBL687571 0.88 ALDH1A1 (0.50) PTGER3KMT2AKDM4EMEN1ALDH1A1
SCHEMBL688223 0.87 PTGER3 (0.55) PTGER3KMT2AKDM4EMEN1ALDH1A1
SCHEMBL687440 0.86 PTGER3 (0.55) PTGER3KMT2AKDM4EMEN1ALDH1A1
SCHEMBL695420 0.85 MAPT (0.54) PTGER3KMT2AKDM4EMEN1ALDH1A1
SCHEMBL686731 0.85 MAPT (0.55) PTGER3KMT2AKDM4EMEN1ALDH1A1
SCHEMBL688325 0.84 ALDH1A1 (0.51) PTGER3KMT2AKDM4EMEN1ALDH1A1
SCHEMBL686838 0.83 PTGER3 (0.51) PTGER3KMT2AKDM4EMEN1ALDH1A1
SCHEMBL687812 0.83 POLB (0.45) TP53LMNA

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