SCHEMBL7472885

SCHEMBL7472885

O=C(O)c1cc2cc(OCc3c(Cl)cccc3Cl)ccc2n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.48
ABCB11 O95342 2/20 0.46
SRD5A2 P31213 1/20 0.41
S1PR5 Q9H228 5/20 0.41
S1PR1 P21453 3/20 0.41
S1PR3 Q99500 1/20 0.41
PLA2G4A P47712 1/20 0.41
MCHR1 Q99705 1/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
ITGA4 P13612 1/20 0.41
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40

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 0.90 SRD5A2 (0.54) CCR2ABCB11SRD5A2S1PR5S1PR1
SCHEMBL7467129 0.88 CCR2 (0.54) CCR2SRD5A2EDNRBEDNRA
SCHEMBL7137416 0.87 CCR2 (0.45) CCR2ABCB11SRD5A2S1PR5S1PR1
SCHEMBL7466632 0.87 CCR2 (0.45) CCR2ABCB11SRD5A2S1PR5S1PR1
SCHEMBL7246205 0.86 CCR2 (0.49) CCR2ABCB11SRD5A2PLA2G4ALTB4R
SCHEMBL7525789 0.86 ABCB11 (0.49) CCR2ABCB11SRD5A2PLA2G4ALTB4R
SCHEMBL7466282 0.86 CCR2 (0.58) CCR2ABCB11SRD5A2PLA2G4ALTB4R
SCHEMBL7455739 0.85 CCR2 (0.57) CCR2ABCB11SRD5A2PLA2G4ALTB4R
SCHEMBL7466879 0.85 EDNRB (0.48) CCR2ABCB11SRD5A2PLA2G4ALTB4R
SCHEMBL7468637 0.85 CCR2 (0.47) CCR2ABCB11SRD5A2PLA2G4AMCHR1

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 9 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-1242075-A4 INDOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2002-12-04 EP disclosed
US-6486211-B1 Indole compounds SMITHKLINE BEECHAM CORPORATION 2002-11-26 US disclosed
EP-1242075-A2 INDOLE COMPOUNDS SmithKline Beecham Corporation (US) 2002-09-25 EP disclosed
EP-1021181-A4 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORP (US) 2002-06-26 EP disclosed
WO-2001030752-A2 INDOLE COMPOUNDS FOR TREATING BACTERIAL INFECTIONS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-03 WO 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