SCHEMBL7468637

SCHEMBL7468637

O=C(O)c1cc2cc(OCc3ccccc3Oc3ccccc3)ccc2n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.47
ABCB11 O95342 2/20 0.42
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
SRD5A2 P31213 1/20 0.41
PLA2G4A P47712 1/20 0.40
EDNRB P24530 3/20 0.40
FFAR1 O14842 1/20 0.39
EDNRA P25101 2/20 0.39
MCHR1 Q99705 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL7466879 0.92 EDNRB (0.48) CCR2ABCB11LTB4RLTB4R2SRD5A2
SCHEMBL7465471 0.88 SRD5A2 (0.54) CCR2ABCB11LTB4RLTB4R2SRD5A2
SCHEMBL7462839 0.86 CCR2 (0.46) CCR2ABCB11LTB4RLTB4R2SRD5A2
SCHEMBL7472885 0.85 CCR2 (0.48) CCR2ABCB11LTB4RLTB4R2SRD5A2
SCHEMBL7246205 0.84 CCR2 (0.49) CCR2ABCB11LTB4RLTB4R2SRD5A2
SCHEMBL7525789 0.82 ABCB11 (0.49) CCR2ABCB11LTB4RLTB4R2SRD5A2
SCHEMBL7466282 0.82 CCR2 (0.58) CCR2ABCB11LTB4RLTB4R2SRD5A2
SCHEMBL7467129 0.82 CCR2 (0.54) CCR2SRD5A2EDNRBEDNRA
SCHEMBL7455739 0.82 CCR2 (0.57) CCR2ABCB11LTB4RLTB4R2SRD5A2
SCHEMBL7467315 0.80 EDNRA (0.47) CCR2ABCB11PLA2G4AEDNRBEDNRA

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