SCHEMBL8388593

SCHEMBL8388593

COc1ccccc1COc1ccc2c(c1)cc(C(=O)O)n2Cc1cc2c(cc1Cl)OOC2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.45
ABCB11 O95342 1/20 0.42
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
SRD5A2 P31213 2/20 0.40
PLA2G4A P47712 1/20 0.39
EDNRB P24530 3/20 0.39
PARP14 Q460N5 1/20 0.39
PARP10 Q53GL7 1/20 0.39
MCL1 Q07820 1/20 0.38
SRD5A1 P18405 1/20 0.36
TP53 P04637 1/20 0.36

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 0.88 EDNRB (0.48) CCR2ABCB11LTB4RLTB4R2SRD5A2
SCHEMBL8389272 0.87 CCR2 (0.54) CCR2ABCB11LTB4RLTB4R2SRD5A2
SCHEMBL7466632 0.86 CCR2 (0.45) CCR2ABCB11LTB4RLTB4R2SRD5A2
SCHEMBL7465994 0.84 PLA2G4A (0.46) CCR2ABCB11LTB4RLTB4R2SRD5A2
SCHEMBL7467118 0.83 CCR2 (0.50) CCR2ABCB11LTB4RLTB4R2SRD5A2
SCHEMBL7137416 0.83 CCR2 (0.45) CCR2ABCB11LTB4RLTB4R2SRD5A2
SCHEMBL7473359 0.82 CCR2 (0.44) CCR2ABCB11PLA2G4AMCL1
SCHEMBL7470926 0.82 CCR2 (0.44) CCR2ABCB11PLA2G4AMCL1
SCHEMBL7468637 0.80 CCR2 (0.47) CCR2ABCB11LTB4RLTB4R2SRD5A2
SCHEMBL8617227 0.76 SRD5A2 (0.46) LTB4RLTB4R2SRD5A2EDNRBMCL1

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 1 patent. 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 disclosed