SCHEMBL10467072

SCHEMBL10467072

COc1cc(C=CC(=O)CCc2ccccc2)cc(OC)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 13/20 1.00
▸ PTGS1 P23219 2/20 0.58
▸ PKM P14618 1/20 0.58
▸ PTGS2 P35354 1/20 0.58
▸ APP P05067 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ AKR1C3 P42330 1/20 0.57
▸ TTR P02766 1/20 0.57
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2B6 P20813 1/20 0.56
▸ MET P08581 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ PTGES O14684 1/20 0.54
▸ STAT3 P40763 1/20 0.54
▸ NFE2L2 Q16236 1/20 0.54

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
SCHEMBL10467071 1.00 ALOX5 (1.00) ALOX5PTGS1PKMPTGS2APP
SCHEMBL10468741 0.92 ALOX5 (0.84) ALOX5PTGS1PKMPTGS2APP
SCHEMBL10468742 0.92 ALOX5 (0.84) ALOX5PTGS1PKMPTGS2APP
SCHEMBL8392953 0.91 ALOX5 (0.84) ALOX5PTGS1PKMPTGS2APP
SCHEMBL8392948 0.91 ALOX5 (0.84) ALOX5PTGS1PKMPTGS2APP
SCHEMBL18509085 0.88 ALOX5 (0.84) ALOX5PTGS1PKMPTGS2APP
SCHEMBL9695487 0.88 ALOX5 (0.84) ALOX5PTGS1PKMPTGS2APP
SCHEMBL9579815 0.87 ALOX5 (0.77) ALOX5APPMAPTAKR1C3TTR
SCHEMBL17833497 0.85 ALOX5 (0.74) ALOX5PTGS1APPMAPTAKR1C3
SCHEMBL10467077 0.82 ALOX5 (0.70) ALOX5PTGS1PTGS2AKR1C3TTR

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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