SCHEMBL11084282

SCHEMBL11084282

CCCCCc1ccc(OC)c(Br)c1OC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.47
PTGS2 P35354 4/20 0.47
PPARA Q07869 1/20 0.42
HTR2A P28223 1/20 0.41
AOC3 Q16853 1/20 0.41
ELANE P08246 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 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
SCHEMBL10771477 0.83 AOC3 (0.54) ALOX5PTGS2PPARAHTR2AAOC3
SCHEMBL28100250 0.83 AOC3 (0.54) ALOX5PTGS2PPARAHTR2AAOC3
SCHEMBL10776229 0.83 AOC3 (0.54) ALOX5PTGS2PPARAHTR2AAOC3
SCHEMBL10776215 0.83 AOC3 (0.54) ALOX5PTGS2PPARAHTR2AAOC3
SCHEMBL22413029 0.81 ALOX5 (0.49) ALOX5PTGS2PPARAHTR2AAOC3
SCHEMBL27586556 0.79 AOC3 (0.57) ALOX5PTGS2AOC3ELANE
SCHEMBL11808022 0.78 ALOX5 (0.53) ALOX5PTGS2PPARAHTR2AAOC3
SCHEMBL28100184 0.78 ALOX5 (0.45) ALOX5PTGS2PPARAHTR2AAOC3
SCHEMBL28834539 0.78 ALOX5 (0.45) ALOX5PTGS2PPARAHTR2AAOC3
SCHEMBL24089314 0.76 ALOX5 (0.43) ALOX5PTGS2PPARAAOC3ELANE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4487934-A Method of preparing poly-substituted acylbenzenes HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1984-12-11 US disclosed
EP-0041682-B1 A METHOD OF PREPARING POLY-SUBSTITUTED ACYLBENZENES HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1983-09-21 EP disclosed
EP-0041682-A1 A method of preparing poly-substituted acylbenzenes HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1981-12-16 EP disclosed
US-4304941-A Method of preparing poly-substituted acylbenzenes HOECHST ROUSSEL PHARMACEUTICALS, INC. (US) 1981-12-08 US disclosed