SCHEMBL458566

SCHEMBL458566

Cc1ccc2c(ccc3ccccc32)c1C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.78
CYP1A2 P05177 4/20 0.78
CYP2A6 P11509 3/20 0.78
HPRT1 P00492 3/20 0.64
HSD17B10 Q99714 5/20 0.57
HPGD P15428 3/20 0.57
CYP3A4 P08684 3/20 0.57
HIF1A Q16665 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MAPK1 P28482 2/20 0.57
CASP1 P29466 1/20 0.57
RAB9A P51151 1/20 0.57
CASP7 P55210 1/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 6/20 0.55
TDP1 Q9NUW8 2/20 0.55
MAPT P10636 2/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL7108062 1.00 TSHR (0.78) TSHRCYP1A2CYP2A6HPRT1HSD17B10
SCHEMBL31747510 1.00 TSHR (0.78) TSHRCYP1A2CYP2A6HPRT1HSD17B10
SCHEMBL28910586 0.98 TSHR (0.75) TSHRCYP1A2CYP2A6HPRT1HSD17B10
Phenol SCHEMBL27953279 0.89 TSHR (0.62) TSHRCYP1A2CYP2A6HPRT1HSD17B10
SCHEMBL28814927 0.88 CYP2A6 (1.00) TSHRCYP1A2CYP2A6HPRT1HSD17B10
SCHEMBL49861 0.88 CYP2A6 (1.00) TSHRCYP1A2CYP2A6HPRT1HSD17B10
SCHEMBL29736830 0.88 CYP2A6 (1.00) TSHRCYP1A2CYP2A6HPRT1HSD17B10
SCHEMBL31498531 0.86 CYP2A6 (0.95) TSHRCYP1A2CYP2A6HPRT1HSD17B10
SCHEMBL9614419 0.86 CYP2A6 (0.95) TSHRCYP1A2CYP2A6HPRT1HSD17B10
SCHEMBL2810487 0.86 CYP2A6 (0.95) TSHRCYP1A2CYP2A6HPRT1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118943306-A Zinc metastanniate negative electrode material and preparation method and application thereof 中国地质大学(武汉) 2024-11-12 CN claimed
CN-118008280-A Method for determining hydrocarbon source rock hydrocarbon discharge time 中国石油化工股份有限公司 2024-05-10 CN claimed
CN-117810564-A Functional material, preparation method thereof, negative plate and battery 惠州亿纬动力电池有限公司 2024-04-02 CN claimed
CN-117393705-A Chemical prelithiation method for preparing organic anode material with high first coulombic efficiency 重庆理工大学 2024-01-12 CN claimed
CN-113125592-B Method for separating monocyclic, bicyclic, tricyclic and polycyclic aromatic hydrocarbons from high-sulfur crude oil 中国地质大学(北京) 2022-11-22 CN claimed
CN-113125592-A Method for separating monocyclic, bicyclic, tricyclic and polycyclic aromatic hydrocarbons from high-sulfur crude oil 中国地质大学(北京) 2021-07-16 CN claimed
CN-109557191-A A kind of method of discrimination of high maturity crude oil pro-borne 中国石油化工股份有限公司 2019-04-02 CN claimed
US-20150322308-A1 EPOXY RESIN, PRODUCTION METHOD THEREOF, EPOXY RESIN COMPOSITION, AND CURED PRODUCT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-11-12 US claimed
EP-2865695-A1 EPOXY RESIN, METHOD FOR PRODUCING SAME, EPOXY RESIN COMPOSITION, AND CURED PRODUCT Mitsubishi Gas Chemical Company, Inc. (JP) 2015-04-29 EP claimed
CN-104395370-A Epoxy resin, method for producing same, epoxy resin composition, and cured product MITSUBISHI GAS CHEMICAL CO 2015-03-04 CN claimed
CN-103827163-A Resin having fluorene structure and underlayer film forming material for lithography MITSUBISHI GAS CHEMICAL CO 2014-05-28 CN claimed
CN-103619892-A Phenolic resin and underlayer film forming material for lithography MITSUBISHI GAS CHEMICAL CO 2014-03-05 CN claimed
US-8536395-B2 Catalyst with an ion-modified binder FINA TECHNOLOGY, INC. (US) 2013-09-17 US claimed
US-20120095250-A1 CATALYST WITH AN ION-MODIFIED BINDER FINA TECHNOLOGY, INC. (US) 2012-04-19 US claimed
US-20110308790-A1 IN SITU METHANOGENESIS MODELING AND RISK ANALYSIS CONOCOPHILLIPS COMPANY (US) 2011-12-22 US claimed
WO-2011159919-A2 IN SITU METHANOGENESIS MODELING AND RISK ANALYSIS CONOCOPHILLIPS COMPANY (US) 2011-12-22 WO claimed
CN-102216215-A Process for making alkylaromatics using EMM-12 EXXONMOBIL CHEM PATENTS INC 2011-10-12 CN claimed
EP-2338955-A1 Selective removal of aromatics BP Oil International Limited (GB) 2011-06-29 EP claimed
CN-102105397-A Process for making alkylaromatics using EMM-13 EXXONMOBIL CHEM PATENTS INC 2011-06-22 CN claimed
CN-101679882-A Improved process for the preparation of alkylaromatic compounds EXXONMOBIL CHEM PATENTS INC 2010-03-24 CN claimed