SCHEMBL9760718

SCHEMBL9760718

CCOc1cc(OCC)c2c(c1)C(C)=CC(C)(C)N2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.59
▸ KDM4E B2RXH2 8/20 0.59
▸ HPGD P15428 6/20 0.59
▸ HSD17B10 Q99714 5/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ TDP1 Q9NUW8 3/20 0.59
▸ LMNA P02545 2/20 0.59
▸ ALOX12 P18054 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ MAPT P10636 7/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ PLIN1 O60240 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL9760198 0.87 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL6470321 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL940184 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL27306126 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10MEN1
E324 SCHEMBL27666334 0.77 ALDH1A1 (0.97) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL31696364 0.75 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10MEN1
E324 SCHEMBL21601 0.75 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10MEN1
E324 SCHEMBL7999894 0.75 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10MEN1
E324 SCHEMBL29357397 0.75 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10MEN1
E324 SCHEMBL11191719 0.73 ALDH1A1 (0.97) ALDH1A1KDM4EHPGDHSD17B10MEN1

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-4986996-A Ethoxyquin derivatives as antioxidants in edible oils and fish meal UNIVERSITY OF ST. ANDREWS (GB) 1991-01-22 — — US claimed
EP-0350304-A2 Anti-oxidants INTERNATIONAL ASSOCIATION OF FISH MEAL MANUFACTURERS (GB) 1990-01-10 — — EP claimed
JP-2150254-A — — None — — JP disclosed
JP-H02150254-A ANTIOXIDANT INTERNATL ASSOC OF FISH MEAL MFG 1990-06-08 — — JP disclosed
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