SCHEMBL687205

SCHEMBL687205

CCCc1cn(Cc2ccc(Cl)cc2)c(=O)c(NC(=O)N[C@@H](CC(=O)O)c2cccc(OCC)c2)c1O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
PTGER3 P43115 1/20 0.35
KMT2A Q03164 2/20 0.35
PPARG P37231 3/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 1/20 0.35
MAPT P10636 3/20 0.34
TP53 P04637 2/20 0.34
ICMT O60725 1/20 0.34
P2RX3 P56373 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL687881 0.90 PTGER3 (0.40) FFAR1PTGER3MAPTTP53NPSR1
SCHEMBL687870 0.89 KMT2A (0.40) FFAR1KMT2AMAPTP2RX3NPSR1
SCHEMBL687724 0.88 SMN1; SMN2 (0.36) FFAR1PTGER3KMT2ANPSR1RXFP1
SCHEMBL688582 0.87 SMN1; SMN2 (0.39) FFAR1PTGER3KMT2AKDM4E
SCHEMBL686979 0.85 KMT2A (0.38) KMT2AMEN1
SCHEMBL688419 0.84 SMN1; SMN2 (0.35) FFAR1PTGER3KMT2APPARGP2RX3
SCHEMBL688331 0.83 SMN1; SMN2 (0.38) FFAR1PTGER3KMT2ANPSR1RXFP1
SCHEMBL686761 0.82 SMN1; SMN2 (0.37) KMT2AMAPTNPSR1RXFP1KDM4E
SCHEMBL687744 0.81 PTGER3 (0.43) FFAR1PTGER3MAPTTP53NPSR1
SCHEMBL686627 0.81 SMN1; SMN2 (0.42) PTGER3KMT2AMAPTNPSR1MEN1

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 2 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-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP disclosed