SCHEMBL9533980

SCHEMBL9533980

COc1cc(/C=C/C(CCc2ccco2)=N/O)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.55
▸ CTSB P07858 1/20 0.55
▸ MAPT P10636 6/20 0.54
▸ APP P05067 6/20 0.54
▸ ALDH1A1 P00352 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ CYP2D6 P10635 3/20 0.48
▸ ALOX5 P09917 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ MAOB P27338 3/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ NFKB1 P19838 2/20 0.48
▸ HSD11B1 P28845 2/20 0.48
▸ STAT3 P40763 2/20 0.48
▸ NFKB2 Q00653 2/20 0.48
▸ RELA Q04206 2/20 0.48
▸ NFE2L2 Q16236 2/20 0.48

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
SCHEMBL9533984 1.00 CAPN1 (0.55) CAPN1CTSBMAPTAPPALDH1A1
SCHEMBL9533579 0.85 APP (0.70) CAPN1CTSBMAPTAPPALDH1A1
SCHEMBL9533573 0.85 APP (0.70) CAPN1CTSBMAPTAPPALDH1A1
SCHEMBL9579773 0.84 MAPT (0.51) CAPN1CTSBMAPTAPPALDH1A1
SCHEMBL9579769 0.84 MAPT (0.51) CAPN1CTSBMAPTAPPALDH1A1
SCHEMBL9579766 0.84 MAPT (0.51) CAPN1CTSBMAPTAPPALDH1A1
SCHEMBL9537397 0.82 ALOX5 (0.65) MAPTAPPALDH1A1HTTCYP2D6
SCHEMBL9537392 0.82 ALOX5 (0.65) MAPTAPPALDH1A1HTTCYP2D6
SCHEMBL9579821 0.79 KDM1A (0.52) MAPTAPPALDH1A1HTTCYP2D6
SCHEMBL9579822 0.79 KDM1A (0.52) MAPTAPPALDH1A1HTTCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241043-B1 NOVEL DIARYLALKANOIDS HAVING ACTIVITY AS LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-09-01 — — EP 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-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-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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