SCHEMBL7465994

SCHEMBL7465994

O=C(O)c1ccc(COc2ccc3c(c2)cc(C(=O)O)n3Cc2cc3c(cc2Cl)OOC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 2/20 0.46
ABCB11 O95342 2/20 0.46
CCR2 P41597 8/20 0.45
SRD5A2 P31213 1/20 0.42
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
NPC1 O15118 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
RAB9A P51151 1/20 0.40
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40
NR4A2 P43354 1/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL7467118 0.91 CCR2 (0.50) ABCB11CCR2SRD5A2LTB4RLTB4R2
SCHEMBL7466632 0.87 CCR2 (0.45) PLA2G4AABCB11CCR2SRD5A2LTB4R
SCHEMBL7525789 0.87 ABCB11 (0.49) PLA2G4AABCB11CCR2SRD5A2LTB4R
SCHEMBL8389272 0.86 CCR2 (0.54) PLA2G4AABCB11CCR2SRD5A2LTB4R
SCHEMBL7137416 0.84 CCR2 (0.45) PLA2G4AABCB11CCR2SRD5A2LTB4R
SCHEMBL8388593 0.84 CCR2 (0.45) PLA2G4AABCB11CCR2SRD5A2LTB4R
SCHEMBL7458901 0.81 MAPT (0.44) ABCB11CCR2RAB9AF10
SCHEMBL7470926 0.80 CCR2 (0.44) PLA2G4AABCB11CCR2MCL1
SCHEMBL7473359 0.80 CCR2 (0.44) PLA2G4AABCB11CCR2MCL1
SCHEMBL7465471 0.80 SRD5A2 (0.54) PLA2G4AABCB11CCR2SRD5A2LTB4R

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