SCHEMBL8392953

SCHEMBL8392953

COc1cc(C=CC(=O)CCCCc2ccccc2)cc(OC)c1O

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 11/20 0.84
▸ MET P08581 3/20 0.57
▸ PKM P14618 1/20 0.55
▸ PTGS1 P23219 1/20 0.55
▸ PTGS2 P35354 1/20 0.55
▸ APP P05067 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ TTR P02766 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2B6 P20813 1/20 0.52

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
SCHEMBL8392948 1.00 ALOX5 (0.84) ALOX5METPKMPTGS1PTGS2
SCHEMBL17833497 0.93 ALOX5 (0.74) ALOX5METPTGS1APPMAPT
SCHEMBL10467072 0.91 ALOX5 (1.00) ALOX5METPKMPTGS1PTGS2
SCHEMBL10467071 0.91 ALOX5 (1.00) ALOX5METPKMPTGS1PTGS2
SCHEMBL3686080 0.89 ALOX5 (1.00) ALOX5METPKMPTGS1PTGS2
SCHEMBL30219096 0.89 ALOX5 (1.00) ALOX5METPKMPTGS1PTGS2
SCHEMBL9533683 0.89 ALOX5 (1.00) ALOX5METPKMPTGS1PTGS2
SCHEMBL29489703 0.88 ALOX5 (0.84) ALOX5APPMAPTTTRALDH1A1
SCHEMBL29489695 0.87 ALOX5 (0.83) ALOX5APPMAPTTTRALDH1A1
SCHEMBL9534542 0.87 ALOX5 (0.83) ALOX5APPMAPTTTRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717027-B1 Diarylheptanoide derivative and pharmaceutical composition comprising the same YAKULT HONSHA KK (JP) 1999-05-12 — — EP disclosed
US-5763673-A ENZYME INHIBITORS AND ANTIINFLAMMATORY AGENTS KABUSHIKI KAISHA YAKULT HONSHA (JP) 1998-06-09 — — US disclosed
EP-0717027-A1 Diarylheptanoide derivative and pharmaceutical composition comprising the same KABUSHIKI KAISHA YAKULT HONSHA (JP) 1996-06-19 — — EP disclosed
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