SCHEMBL9695487

SCHEMBL9695487

COc1cc(C=CC(=O)CCc2ccccc2)ccc1O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.84
▸ APP P05067 5/20 0.74
▸ MAPT P10636 5/20 0.74
▸ TTR P02766 1/20 0.72
▸ CYP2D6 P10635 3/20 0.71
▸ CA12 O43570 3/20 0.71
▸ CA4 P22748 3/20 0.71
▸ CA6 P23280 3/20 0.71
▸ CA5A P35218 3/20 0.71
▸ CA7 P43166 3/20 0.71
▸ CA9 Q16790 3/20 0.71
▸ CA14 Q9ULX7 3/20 0.71
▸ CA5B Q9Y2D0 3/20 0.71
▸ KDM1A O60341 3/20 0.71
▸ KDM4E B2RXH2 3/20 0.71
▸ BACE1 P56817 3/20 0.71
▸ NFKB1 P19838 3/20 0.71
▸ CYP2C9 P11712 2/20 0.71
▸ TSHR P16473 2/20 0.71
▸ HSD17B10 Q99714 2/20 0.71

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
SCHEMBL18509085 1.00 ALOX5 (0.84) ALOX5APPMAPTTTRCYP2D6
SCHEMBL3686080 0.91 ALOX5 (1.00) ALOX5APPMAPTTTRCYP2D6
SCHEMBL9533683 0.91 ALOX5 (1.00) ALOX5APPMAPTTTRCYP2D6
SCHEMBL30219096 0.91 ALOX5 (1.00) ALOX5APPMAPTTTRCYP2D6
SCHEMBL9534272 0.90 APP (0.74) ALOX5APPMAPTCYP2D6CA12
SCHEMBL9534270 0.90 APP (0.74) ALOX5APPMAPTCYP2D6CA12
SCHEMBL21548781 0.89 CA12 (0.74) ALOX5APPMAPTTTRCYP2D6
SCHEMBL10467071 0.88 ALOX5 (1.00) ALOX5APPMAPTTTRCYP2D6
SCHEMBL10467072 0.88 ALOX5 (1.00) ALOX5APPMAPTTTRCYP2D6
SCHEMBL9695786 0.88 APP (0.76) ALOX5APPMAPTTTRCYP2D6

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-5142095-A Treating inflammation, allergies, asthma, cardiovascular disorders, psoriasis WARNER-LAMBERT COMPANY (US) 1992-08-25 — — US claimed
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