SCHEMBL7466282

SCHEMBL7466282

COc1cccc(COc2ccc3c(c2)cc(C(=O)O)n3Cc2cc3c(cc2Cl)OCO3)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.58
EDNRB P24530 3/20 0.49
EDNRA P25101 3/20 0.49
SRD5A2 P31213 1/20 0.46
ABCB11 O95342 1/20 0.46
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
PLA2G4A P47712 1/20 0.43
F10 P00742 1/20 0.42
TP53 P04637 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 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
SCHEMBL7455739 0.91 CCR2 (0.57) CCR2EDNRBEDNRASRD5A2ABCB11
SCHEMBL7465471 0.90 SRD5A2 (0.54) CCR2EDNRBEDNRASRD5A2ABCB11
SCHEMBL7467129 0.90 CCR2 (0.54) CCR2EDNRBEDNRASRD5A2F10
SCHEMBL8389272 0.88 CCR2 (0.54) CCR2EDNRBEDNRASRD5A2ABCB11
SCHEMBL7462084 0.87 S1PR1 (0.54) CCR2SRD5A2ABCB11MRGPRX4
SCHEMBL7472885 0.86 CCR2 (0.48) CCR2EDNRBEDNRASRD5A2ABCB11
SCHEMBL7466879 0.86 EDNRB (0.48) CCR2EDNRBEDNRASRD5A2ABCB11
SCHEMBL7525789 0.85 ABCB11 (0.49) CCR2EDNRBEDNRASRD5A2ABCB11
SCHEMBL7458022 0.82 CCR2 (0.52) CCR2EDNRBEDNRASRD5A2ABCB11
SCHEMBL8385275 0.82 F10 (0.51) EDNRBEDNRASRD5A2LTB4RLTB4R2

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