SCHEMBL3963262

SCHEMBL3963262

CNc1ccc(C)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ CYP1A2 P05177 3/20 0.49
▸ CYP2D6 P10635 3/20 0.49
▸ CYP2C9 P11712 3/20 0.49
▸ CYP2C19 P33261 3/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CASP1 P29466 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ACHE P22303 1/20 0.45
▸ TRPA1 O75762 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ CACNA1C Q13936 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HSD17B2 P37059 2/20 0.42
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 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
Hydrochloric Acid SCHEMBL6130294 0.82 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6653675 0.81 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8350047 0.81 TP53 (0.52) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL84733 0.80 ARG1 (0.48) ALDH1A1CYP1A2CYP2D6CYP3A4MEN1
SCHEMBL14465086 0.79 TSHR (0.52) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL27786790 0.78 ARG1 (0.47) ALDH1A1CYP1A2CYP2D6CYP3A4MEN1
Bromide SCHEMBL28351801 0.78 ARG1 (0.47) ALDH1A1CYP1A2CYP2D6CYP3A4MEN1
Hydrochloric Acid SCHEMBL16280191 0.77 TSHR (0.50) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29606739 0.77 POLB (0.50) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2092210 0.77 POLB (0.50) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19

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 125 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102557969-B Cyclic ketone derivatives and applications thereof as developers and aggregation inhibitors of amyloid protein sediments and neurofibrillary tangles USTC UNIV SCIENCE TECH CN 2015-03-18 — — CN claimed
US-7070628-B2 Composition for the dyeing of human hair KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2006-07-04 — — US claimed
US-7070627-B2 Composition for the dyeing of human hair KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2006-07-04 — — US claimed
US-7056352-B2 Composition for the dyeing of human hair KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2006-06-06 — — US claimed
EP-1438948-B1 Composition for the dyeing of human hair KPSS KAO GMBH (DE) 2005-10-19 — — EP claimed
EP-1374841-B1 Composition for dyeing of human hair KPSS KAO GMBH (DE) 2005-10-19 — — EP claimed
EP-1374840-B1 Composition for the dyeing of human hair KPSS KAO GMBH (DE) 2005-10-19 — — EP claimed
EP-1380285-B1 Composition for the dyeing of human hair KPSS KAO GMBH (DE) 2005-10-19 — — EP claimed
EP-1378229-B1 Composition for the dyeing of human hair KPSS KAO GMBH (DE) 2005-10-12 — — EP claimed
US-6852133-B2 Composition for the dyeing of human hair KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2005-02-08 — — US claimed
WO-1998019661-A1 COLORANTS FOR COLOURING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 1998-05-14 — — WO claimed
WO-1998017234-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 1998-04-30 — — WO claimed
WO-1998017235-A1 MEANS AND METHOD FOR TINTING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 1998-04-30 — — WO claimed
EP-0634165-B1 Oxidative dying composition for keratinous fibers containing a para-aminophenol, a meta-aminophenol and a 2-substituted para-aminophenol OREAL (FR) 1997-09-24 — — EP claimed
EP-0667143-B1 Keratinous fiber oxidation dyeing composition containing a paraphenylenediamine, a metaphenylenediamine and a paraaminophenol or a metaaminophenol OREAL (FR) 1996-10-09 — — EP claimed
EP-0667143-A1 Keratinous fiber oxidation dyeing composition containing a paraphenylenediamine, a metaphenylenediamine and a paraaminophenol or a metaaminophenol L'OREAL (FR) 1995-08-16 — — EP claimed
EP-0634165-A1 Keratinous fibers oxidation dying composition containing a para-aminophenol, a meta-aminophenol and a 2-substituted para-aminophenol L'OREAL (FR) 1995-01-18 — — EP claimed
US-4985042-A New substituted metaaminophenols, a process for their preparation, hair-dyeing compositions containing them and a hair-dyeing process L'OREAL (FR) 1991-01-15 — — US claimed
US-4954131-A Substituted metaaminophenols, a process for their preparation, hair-dyeing compositions containing them and a hair-dyeing process L'OREAL (FR) 1990-09-04 — — US claimed
US-4863480-A OXIDATION COLOR DYES THE FRENCH JOINT STOCK COMPANY "L'OREAL" (FR) 1989-09-05 — — US claimed
Send feedback