SCHEMBL7467129

SCHEMBL7467129

O=C(O)c1cccc(COc2ccc3c(c2)cc(C(=O)O)n3Cc2cc3c(cc2Cl)OCO3)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.54
MRGPRX4 Q96LA9 7/20 0.50
F10 P00742 2/20 0.49
EDNRA P25101 9/20 0.48
EDNRB P24530 8/20 0.48
SRD5A2 P31213 1/20 0.46

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
SCHEMBL7465471 0.92 SRD5A2 (0.54) CCR2F10EDNRAEDNRBSRD5A2
SCHEMBL7525789 0.90 ABCB11 (0.49) CCR2EDNRAEDNRBSRD5A2
SCHEMBL7466282 0.90 CCR2 (0.58) CCR2MRGPRX4F10EDNRAEDNRB
SCHEMBL7462084 0.88 S1PR1 (0.54) CCR2MRGPRX4SRD5A2
SCHEMBL7467118 0.88 CCR2 (0.50) CCR2MRGPRX4F10SRD5A2
SCHEMBL7472885 0.88 CCR2 (0.48) CCR2EDNRAEDNRBSRD5A2
SCHEMBL7455739 0.86 CCR2 (0.57) CCR2EDNRAEDNRBSRD5A2
SCHEMBL7458022 0.84 CCR2 (0.52) CCR2EDNRAEDNRBSRD5A2
SCHEMBL7246205 0.83 CCR2 (0.49) CCR2SRD5A2
SCHEMBL7466879 0.82 EDNRB (0.48) CCR2EDNRAEDNRBSRD5A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955492-A Carboxylic acid indole inhibitors of chemokines SMITHKLINE BEECHAM CORPORATION (US) 1999-09-21 US 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