SCHEMBL7466632

SCHEMBL7466632

O=C(O)c1cc2cc(OCc3c(Cl)cccc3Cl)ccc2n1Cc1cc2c(cc1Cl)OOC2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.45
ABCB11 O95342 2/20 0.42
SRD5A2 P31213 1/20 0.39
PLA2G4A P47712 2/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
S1PR5 Q9H228 4/20 0.38
S1PR1 P21453 2/20 0.37
MCL1 Q07820 1/20 0.36
F10 P00742 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
SCHEMBL7137416 0.97 CCR2 (0.45) CCR2ABCB11SRD5A2PLA2G4ALTB4R
SCHEMBL7467118 0.89 CCR2 (0.50) CCR2ABCB11SRD5A2LTB4RLTB4R2
SCHEMBL7465994 0.87 PLA2G4A (0.46) CCR2ABCB11SRD5A2PLA2G4ALTB4R
SCHEMBL8389272 0.87 CCR2 (0.54) CCR2ABCB11SRD5A2PLA2G4ALTB4R
SCHEMBL7472885 0.87 CCR2 (0.48) CCR2ABCB11SRD5A2PLA2G4ALTB4R
SCHEMBL8388593 0.86 CCR2 (0.45) CCR2ABCB11SRD5A2PLA2G4ALTB4R
SCHEMBL7470926 0.82 CCR2 (0.44) CCR2ABCB11PLA2G4AS1PR5S1PR1
SCHEMBL7473359 0.82 CCR2 (0.44) CCR2ABCB11PLA2G4AS1PR5S1PR1
SCHEMBL7488177 0.81 CCR2 (0.46) CCR2ABCB11
SCHEMBL7465471 0.77 SRD5A2 (0.54) CCR2ABCB11SRD5A2PLA2G4ALTB4R

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 8 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
US-5955492-A Carboxylic acid indole inhibitors of chemokines SMITHKLINE BEECHAM CORPORATION (US) 1999-09-21 US claimed
WO-1997035572-A1 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORPORATION (US) 1997-10-02 WO claimed
EP-1021181-A4 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORP (US) 2002-06-26 EP disclosed
EP-1021181-A1 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORPORATION (US) 2000-07-26 EP disclosed
US-5955492-A Carboxylic acid indole inhibitors of chemokines SMITHKLINE BEECHAM CORPORATION (US) 1999-09-21 US disclosed
WO-1997035572-A1 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORPORATION (US) 1997-10-02 WO disclosed