SCHEMBL9579766

SCHEMBL9579766

COc1cc(/C=C/C(CCc2ccco2)=N/O)cc(Br)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.51
▸ POLB P06746 5/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ KDM4E B2RXH2 8/20 0.47
▸ GAA P10253 4/20 0.47
▸ TNFRSF1A P19438 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ LMNA P02545 3/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ APP P05067 1/20 0.38
▸ CAPN1 P07384 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37

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
SCHEMBL9579769 1.00 MAPT (0.51) MAPTPOLBTDP1KDM4EGAA
SCHEMBL9579773 1.00 MAPT (0.51) MAPTPOLBTDP1KDM4EGAA
SCHEMBL9579738 0.85 ALOX5 (0.57) MAPTPOLBTDP1KDM4EGAA
SCHEMBL9579740 0.85 ALOX5 (0.57) MAPTPOLBTDP1KDM4EGAA
SCHEMBL9579827 0.85 ALOX5 (0.57) MAPTPOLBTDP1KDM4EGAA
SCHEMBL9533984 0.84 CAPN1 (0.55) MAPTPOLBTDP1KDM4EGAA
SCHEMBL9533980 0.84 CAPN1 (0.55) MAPTPOLBTDP1KDM4EGAA
SCHEMBL10538423 0.77 ALOX5 (0.67) MAPTPOLBTDP1KDM4EGAA
SCHEMBL9535664 0.77 ALOX5 (0.67) MAPTPOLBTDP1KDM4EGAA
SCHEMBL9579860 0.74 ALOX5 (0.70) ALDH1A1ALOX5

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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