SCHEMBL7129055

SCHEMBL7129055

c1ccc(C(COCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
HRH1 P35367 5/20 0.46
SCN4A P35499 2/20 0.43
CA7 P43166 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TACR1 P25103 2/20 0.42
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41
TSHR P16473 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL7959905 0.85 CA12 (0.44) HTR2ACA12CA1CA2CA9
SCHEMBL3317802 0.85 CA12 (0.44) HTR2ACA12CA1CA2CA9
SCHEMBL7651276 0.81 NPC1 (0.49) CA12CA1CA2CA9TSHR
SCHEMBL7956378 0.81 HSD17B10 (0.41) HTR2ACA12CA1CA2CA9
SCHEMBL3809923 0.81 CA12 (0.41) HTR2ACA12CA1CA2CA9
SCHEMBL14269139 0.79 ALDH1A1 (0.42) HTR2ACA12CA1CA2CA9
SCHEMBL6151738 0.78 CA12 (0.47) HTR2ACA12CA1CA2CA9
SCHEMBL675686 0.78 CA12 (0.47) HTR2ACA12CA1CA2CA9
SCHEMBL7800345 0.78 CA12 (0.47) HTR2ACA12CA1CA2CA9
SCHEMBL3676403 0.78 CA12 (0.47) HTR2ACA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2759341-B1 METHOD FOR PREPARING P-PHENYLENEDIAMINE ANTIOXIDANT USING A SULFUR-CONTAINING PALLADIUM/CARBON CATALYST SENNICS CO LTD (CN) 2020-03-11 EP claimed
CN-1966244-A PVDC composite film for seven-layer coextrusion processing and its method ZHANG XIAOMING (CN) 2007-05-23 CN claimed
CN-1291953-C Process for the preparation of styrene or substituted styrene SHELL INT RESEARCH (NL) 2006-12-27 CN claimed
CN-115480449-A Curable composition, cured product, and method for producing cured product 东京应化工业株式会社 2022-12-16 CN disclosed
CN-1966244-A PVDC composite film for seven-layer coextrusion processing and its method ZHANG XIAOMING (CN) 2007-05-23 CN disclosed
CN-1304648-C Bismuth sodium potassium titanate series nonlead ferroelectric piezoelectric monocrystal and its growing method and equipment UNIV SHANDONG (CN) 2007-03-14 CN disclosed
CN-1693542-A Bismuth sodium potassium titanate series nonlead ferroelectric piezoelectric monocrystal and its growing method and equipment UNIV SHANDONG (CN) 2005-11-09 CN disclosed
EP-1000005-B1 PROCESS FOR THE PREPARATION OF 1-(3,4-DIMETHOXYPHENYL)ETHANOL AGRO CHEMIE NOEVENYVEDOESZER G (HU) 2003-05-21 EP disclosed
US-6403843-B1 REDUCTION OF 3,4-DIMETHOXYACETOPHENONE WITH HYDROGEN UNDER AQUEOUS CONDITIONS USING A RANEY NICKEL CATALYST; HIGH YIELD; PRODUCT CRYSTALS CAN BE EASILY FILTERED AGRO-CHEMIE (HU) 2002-06-11 US disclosed
EP-0976708-B1 Cycloalkyl ethers and perfume compositions containing them PFW AROMA CHEM (NL) 2002-03-20 EP disclosed
US-6319889-B1 FRAGRANCES PFW AROMA CHEMICALS B.V. (NL) 2001-11-20 US disclosed
EP-1115487-A1 SUPPORTED BF3-COMPLEX SOLID ACID CATALYST, PREPARATION AND USE THE UNIVERSITY OF YORK (GB) 2001-07-18 EP disclosed
WO-2000013792-A1 SUPPORTED BF3-COMPLEX SOLID ACID CATALYST, PREPARATION AND USE THE UNIVERSITY OF YORK (GB) 2000-03-16 WO disclosed
EP-0976708-A1 Cycloalkyl ethers and perfume compositions containing them PFW AROMA CHEMICALS B.V. (NL) 2000-02-02 EP disclosed
CN-1240208-A Process for preparing 3-arylsulfur hydroxamic acids HOFFMANN LA ROCHE (CH) 2000-01-05 CN disclosed
US-4350825-A SEVERAL CATALYTIC PROCESSES STARTING WITH TOLUENE EXXON RESEARCH & ENGINEERING CO. (US) 1982-09-21 US disclosed