SCHEMBL10468741

SCHEMBL10468741

COc1cc(/C=C/C(=O)CCc2ccccc2)cc(Br)c1O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 8/20 0.84
▸ KDM4E B2RXH2 1/20 0.63
▸ GAA P10253 1/20 0.63
▸ APP P05067 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ TTR P02766 2/20 0.52
▸ AKR1C3 P42330 1/20 0.52
▸ PTGS1 P23219 2/20 0.49
▸ PTGES O14684 1/20 0.49
▸ STAT3 P40763 1/20 0.49
▸ NFE2L2 Q16236 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ KDM1A O60341 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ MET P08581 1/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA4 P22748 1/20 0.48
▸ CA6 P23280 1/20 0.48

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
SCHEMBL10468742 1.00 ALOX5 (0.84) ALOX5KDM4EGAAAPPMAPT
SCHEMBL10467071 0.92 ALOX5 (1.00) ALOX5APPMAPTTTRAKR1C3
SCHEMBL10467072 0.92 ALOX5 (1.00) ALOX5APPMAPTTTRAKR1C3
SCHEMBL8392948 0.83 ALOX5 (0.84) ALOX5KDM4EAPPMAPTTTR
SCHEMBL8392953 0.83 ALOX5 (0.84) ALOX5KDM4EAPPMAPTTTR
SCHEMBL18509085 0.83 ALOX5 (0.84) ALOX5KDM4EGAAAPPMAPT
SCHEMBL9695487 0.83 ALOX5 (0.84) ALOX5KDM4EGAAAPPMAPT
SCHEMBL9579738 0.82 ALOX5 (0.57) ALOX5KDM4EGAAAPPMAPT
SCHEMBL9579827 0.82 ALOX5 (0.57) ALOX5KDM4EGAAAPPMAPT
SCHEMBL9579740 0.82 ALOX5 (0.57) ALOX5KDM4EGAAAPPMAPT

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-4959503-A Diarylalkanoids having activity as lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1990-09-25 — — US claimed
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