SCHEMBL652985

SCHEMBL652985

CCc1ccc(O)c(CC)c1N

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
ESR1 P03372 6/20 0.38
ESR2 Q92731 6/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
PRKCI P41743 2/20 0.37
ACHE P22303 1/20 0.36
TRPA1 O75762 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
HSD17B1 P14061 1/20 0.34

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
SCHEMBL6470185 0.84 TRPA1 (0.39) BACE1ESR1ESR2PRKCIACHE
SCHEMBL5823114 0.83 BACE1 (0.40) BACE1ESR1ESR2GABRA1GABRB2
SCHEMBL393531 0.81 POLB (0.35) GABRA1GABRB2
SCHEMBL29211012 0.80 ESR1 (0.39) BACE1ESR1ESR2PRKCIACHE
SCHEMBL705441 0.79 GABRA1 (0.42) BACE1ESR1ESR2GABRA1GABRB2
SCHEMBL30478808 0.78 PDE10A (0.45) ESR1ESR2
SCHEMBL6572166 0.78 TYR (0.43) BACE1ESR1ESR2GABRA1GABRB2
SCHEMBL459542 0.77 POLB (0.38) GABRA1GABRB2
SCHEMBL615425 0.77 GABRA1 (0.36) GABRA1GABRB2
SCHEMBL29430589 0.77 POLB (0.38) GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113248940-B Heptamethine cyanine dye with high-selectivity red light absorption, and synthesis method and application thereof 上海戎科特种装备有限公司 2023-02-17 CN claimed
CN-113248940-A Heptamethine cyanine dye with high-selectivity red light absorption, and synthesis method and application thereof 上海戎科特种装备有限公司 2021-08-13 CN claimed
CN-109574980-A Nitric oxide production fluorescent probe molecule, preparation and purposes are detected based on Rhodamine Derivatives 云南大学 2019-04-05 CN claimed
CN-106008240-B The preparation method and production device therefor of diphenyl-keto-acid derivative 浙江鸿盛化工有限公司 2017-11-14 CN claimed
CN-103736239-A Fire extinguishing composition containing aldoketones compound XI AN JIAN RUI SAFETY EMERGENCY EQUIPMENT LTD LIABILITY COMPANY 2014-04-23 CN claimed
CN-103736237-A Fire extinguishing composition containing hydroxyketone compound and derivatives of hydroxyketone compound XI AN JIAN RUI SAFETY EMERGENCY EQUIPMENT LTD LIABILITY COMPANY 2014-04-23 CN claimed
CN-101103311-B Cationically photopolymerizable epoxy resin composition, microstructure member using the same, and method for producing microstructure member CANON KK 2011-05-04 CN claimed
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed
WO-2010017673-A1 RESORCINOL AND M-AMINOPHENOL DERIVATIVES BLENDS IN RUBBER COMPOUNDING APPLICATIONS SINO LEGEND (ZHANGJIAGANG) CHEMICAL CO., LTD (CN) 2010-02-18 WO claimed
CN-101090882-A P-diaminobenzene derivatives and dyes containing these compounds PROCTER & GAMBLE (US) 2007-12-19 CN claimed
WO-2002074731-A1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-09-26 WO claimed
EP-1226107-A1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES Wella Aktiengesellschaft (DE) 2002-07-31 EP claimed
WO-2002018365-A1 N-HETEROARYLMETHYL-P-PHENYLENDIAMINE DERIVATIVES AND COMPOUNDS CONTAINING OXIDATION COLOURING AGENTS WELLA AKTIENGESELLSCHAFT (DE) 2002-03-07 WO claimed
WO-2002018318-A1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-07 WO claimed
EP-0506549-B1 Dyeing composition for keratinous fibers containing oxidation dye precursors and hydroxybenzofurans as couplers and dyeing process making use of such a composition OREAL (FR) 1995-10-18 EP claimed
EP-0589952-A1 USE OF SUPLHUROUS METAAMINOPHENOLS FOR DYING KERATINIC FIBRES, TINCTORIAL COMPOSITIONS AND NOVEL COMPOUNDS. OREAL (FR) 1994-04-06 EP claimed
EP-0260561-B1 PROCESS FOR DYEING LEATHER WITH DYESTUFF MIXTURES BAYER AG (DE) 1993-03-17 EP claimed
WO-1992022525-A1 USE OF SUPLHUROUS METAAMINOPHENOLS FOR DYING KERATINIC FIBRES, TINCTORIAL COMPOSITIONS AND NOVEL COMPOUNDS L'OREAL (FR) 1992-12-23 WO claimed
EP-0260561-A2 Process for dyeing leather with dyestuff mixtures BAYER AG (DE) 1988-03-23 EP claimed
US-4067916-A TELOMERIZATION WITH A PERFLUOROETHYLENE OR PERFLUOROPROPYLENE CIBA-GEIGY AG (CH) 1978-01-10 US claimed