SCHEMBL7470926

SCHEMBL7470926

C[C@@H](Oc1ccc2c(c1)cc(C(=O)O)n2Cc1cc2c(cc1Cl)OOC2)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.44
ABCB11 O95342 2/20 0.44
PLA2G4A P47712 1/20 0.38
S1PR5 Q9H228 2/20 0.37
S1PR1 P21453 1/20 0.37
MCL1 Q07820 1/20 0.36

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
SCHEMBL7473359 1.00 CCR2 (0.44) CCR2ABCB11PLA2G4AS1PR5S1PR1
SCHEMBL7469052 0.87 CCR2 (0.48) CCR2ABCB11PLA2G4AS1PR5S1PR1
SCHEMBL8388354 0.87 CCR2 (0.48) CCR2ABCB11PLA2G4AS1PR5S1PR1
SCHEMBL7466632 0.82 CCR2 (0.45) CCR2ABCB11PLA2G4AS1PR5S1PR1
SCHEMBL8388593 0.82 CCR2 (0.45) CCR2ABCB11PLA2G4AMCL1
SCHEMBL8389272 0.80 CCR2 (0.54) CCR2ABCB11PLA2G4A
SCHEMBL7465994 0.80 PLA2G4A (0.46) CCR2ABCB11PLA2G4AMCL1
SCHEMBL7467118 0.80 CCR2 (0.50) CCR2ABCB11MCL1
SCHEMBL7137416 0.79 CCR2 (0.45) CCR2ABCB11PLA2G4AS1PR5S1PR1
SCHEMBL7488177 0.73 CCR2 (0.46) CCR2ABCB11

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-1021181-A4 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORP (US) 2002-06-26 EP claimed
EP-1021181-A1 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORPORATION (US) 2000-07-26 EP claimed
WO-1997035572-A1 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORPORATION (US) 1997-10-02 WO claimed