SCHEMBL9535664

SCHEMBL9535664

COc1cc(/C=C/C(=O)CCc2ccco2)cc(OC)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 9/20 0.67
▸ MAPT P10636 3/20 0.56
▸ APP P05067 2/20 0.56
▸ TNFRSF1A P19438 1/20 0.52
▸ CYP2D6 P10635 3/20 0.51
▸ CYP2C9 P11712 3/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2B6 P20813 2/20 0.51
▸ PTGS1 P23219 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ PTGES O14684 2/20 0.50
▸ STAT3 P40763 2/20 0.50
▸ NFE2L2 Q16236 2/20 0.50
▸ PKM P14618 2/20 0.50
▸ PTGS2 P35354 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CAPN1 P07384 1/20 0.50
▸ CTSB P07858 1/20 0.50

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
SCHEMBL10538423 1.00 ALOX5 (0.67) ALOX5MAPTAPPTNFRSF1ACYP2D6
SCHEMBL9579740 0.92 ALOX5 (0.57) ALOX5MAPTAPPTNFRSF1ACYP2D6
SCHEMBL9579738 0.92 ALOX5 (0.57) ALOX5MAPTAPPTNFRSF1ACYP2D6
SCHEMBL9579827 0.92 ALOX5 (0.57) ALOX5MAPTAPPTNFRSF1ACYP2D6
SCHEMBL9533579 0.89 APP (0.70) ALOX5MAPTAPPCYP2D6CYP2C9
SCHEMBL9533573 0.89 APP (0.70) ALOX5MAPTAPPCYP2D6CYP2C9
SCHEMBL10467072 0.80 ALOX5 (1.00) ALOX5MAPTAPPCYP2D6CYP2C9
SCHEMBL10467071 0.80 ALOX5 (1.00) ALOX5MAPTAPPCYP2D6CYP2C9
SCHEMBL9579737 0.78 MEN1 (0.45) ALOX5MAPTTNFRSF1APTGS1KDM4E
SCHEMBL9579773 0.77 MAPT (0.51) ALOX5MAPTAPPTNFRSF1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4810716-A ANTIINFLAMMATORY, ANTIALLERGY, ANTIISCHEMIC WARNER-LAMBERT COMPANY (US) 1989-03-07 — — US claimed
EP-0241043-A2 Novel diarylalkanoids having activity as lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1987-10-14 — — EP claimed
EP-0241043-B1 NOVEL DIARYLALKANOIDS HAVING ACTIVITY AS LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-09-01 — — EP disclosed
US-5177259-A Diarylalkanoids having activity as lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1993-01-05 — — US disclosed
US-5142095-A Treating inflammation, allergies, asthma, cardiovascular disorders, psoriasis WARNER-LAMBERT COMPANY (US) 1992-08-25 — — US disclosed
US-5077411-A Antiallergens, antiinflammatory agents; cardiovascular disorders, migraines, psoriasis WARNER-LAMBERT CO. (US) 1991-12-31 — — US disclosed
US-4959503-A Diarylalkanoids having activity as lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1990-09-25 — — US disclosed
US-4810716-A ANTIINFLAMMATORY, ANTIALLERGY, ANTIISCHEMIC WARNER-LAMBERT COMPANY (US) 1989-03-07 — — US disclosed
EP-0241043-A2 Novel diarylalkanoids having activity as lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1987-10-14 — — EP disclosed
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