SCHEMBL9579740

SCHEMBL9579740

COc1cc(C=CC(=O)CCc2ccco2)cc(Br)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 6/20 0.57
▸ KDM4E B2RXH2 6/20 0.55
▸ GAA P10253 2/20 0.55
▸ MAPT P10636 7/20 0.55
▸ POLB P06746 4/20 0.55
▸ TDP1 Q9NUW8 3/20 0.55
▸ APP P05067 4/20 0.51
▸ TNFRSF1A P19438 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ CAPN1 P07384 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ PTGES O14684 2/20 0.46
▸ PTGS1 P23219 2/20 0.46
▸ STAT3 P40763 2/20 0.46
▸ NFE2L2 Q16236 2/20 0.46
▸ CYP2D6 P10635 3/20 0.44
▸ CYP2C9 P11712 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44

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
SCHEMBL9579738 1.00 ALOX5 (0.57) ALOX5KDM4EGAAMAPTPOLB
SCHEMBL9579827 1.00 ALOX5 (0.57) ALOX5KDM4EGAAMAPTPOLB
SCHEMBL10538423 0.92 ALOX5 (0.67) ALOX5KDM4EGAAMAPTPOLB
SCHEMBL9535664 0.92 ALOX5 (0.67) ALOX5KDM4EGAAMAPTPOLB
SCHEMBL9579766 0.85 MAPT (0.51) ALOX5KDM4EGAAMAPTPOLB
SCHEMBL9579773 0.85 MAPT (0.51) ALOX5KDM4EGAAMAPTPOLB
SCHEMBL9579769 0.85 MAPT (0.51) ALOX5KDM4EGAAMAPTPOLB
SCHEMBL9533579 0.84 APP (0.70) ALOX5KDM4EGAAMAPTPOLB
SCHEMBL9533573 0.84 APP (0.70) ALOX5KDM4EGAAMAPTPOLB
SCHEMBL10468741 0.82 ALOX5 (0.84) ALOX5KDM4EGAAMAPTAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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