SCHEMBL234284

SCHEMBL234284

CCCOC(=O)C1(C(=O)OCCC)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
LMNA P02545 2/20 0.41
ABCB11 O95342 1/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD1 P21728 1/20 0.41
HRH2 P25021 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SCN1A P35498 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
SCHEMBL16086270 0.98 TSHR (0.38) CYP3A4TSHRSIGMAR1CHRM2CHRM1
SCHEMBL16086403 0.94 HCAR2 (0.36) CYP3A4TSHRSIGMAR1CHRM2CHRM1
SCHEMBL16086664 0.90 TSHR (0.40) CYP3A4TSHRSIGMAR1CHRM2CHRM1
SCHEMBL16086417 0.89 HCAR2 (0.39) CYP3A4TSHRSIGMAR1CHRM2CHRM1
SCHEMBL234860 0.88 ALDH1A1 (0.47) CYP3A4TSHRSIGMAR1CHRM2CHRM1
SCHEMBL16086271 0.88 TSHR (0.41) CYP3A4TSHRSIGMAR1CHRM2CHRM1
SCHEMBL16086086 0.86 NAAA (0.46) CYP3A4TSHRLMNAMAPK1NPSR1
SCHEMBL16086201 0.86 ALDH1A1 (0.48) CYP3A4TSHRSIGMAR1CHRM2CHRM1
SCHEMBL2059887 0.85 NAAA (0.48) TSHRLMNAMAPK1NPSR1HCAR2
SCHEMBL22361226 0.85 NAAA (0.48) TSHRLMNAMAPK1NPSR1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111032603-B Iron-catalyzed transesterification hydrogenation of esters to alcohols 伊士曼化工公司 2023-07-25 CN disclosed
CN-110382574-B Heterophasic propylene polymer material and propylene resin composition 住友化学株式会社 2023-03-31 CN disclosed
CN-114479041-B Polyester efficiently catalyzed by two-dimensional material, polyester product, preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2022-09-20 CN disclosed
CN-114479041-A Polyester efficiently catalyzed by two-dimensional material, polyester product, preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2022-05-13 CN disclosed
WO-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 WO disclosed
CN-111032603-A Iron-catalyzed transfer hydrogenation of esters to alcohols 伊士曼化工公司 2020-04-17 CN disclosed
CN-107840905-A A kind of ingredient of solid catalyst, catalyst system and pre-polymerized catalyst for olefinic polymerization 中国石油化工股份有限公司 2018-03-27 CN disclosed
CN-107840908-A A kind of ingredient of solid catalyst, catalyst system and pre-polymerized catalyst for olefinic polymerization 中国石油化工股份有限公司 2018-03-27 CN disclosed
CN-107840916-A A kind of ingredient of solid catalyst, catalyst system and pre-polymerized catalyst for olefinic polymerization 中国石油化工股份有限公司 2018-03-27 CN disclosed
CN-107840915-A A kind of ingredient of solid catalyst, catalyst system and pre-polymerized catalyst for olefinic polymerization 中国石油化工股份有限公司 2018-03-27 CN disclosed
CN-103958533-B Optically active bisoxazoline compound, asymmetric catalyst, and method for producing optically active cyclopropane compound using same SUMITOMO CHEMICAL CO.,LTD. (JP) 2016-02-10 CN disclosed
EP-2360190-B1 SOLID CATALYST COMPONENT AND CATALYST FOR POLYMERIZATION OF OLEFINS, AND PROCESS FOR PRODUCTION OF OLEFIN POLYMERS USING SAME TOHO TITANIUM CO LTD (JP) 2015-10-14 EP disclosed
CN-104276953-A Method for preparing dialkyl 1,4-cyclohexanedicarboxylate DALIAN CHEMICAL PHYSICS INST 2015-01-14 CN disclosed
EP-2781522-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUND, ASYMMETRIC CATALYST, AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE COMPOUND USING SAID CATALYST Sumitomo Chemical Company, Limited (JP) 2014-09-24 EP disclosed
CN-103958533-A Optically active bis-oxazoline compound, asymmetric catalyst, and method for producing optically active cyclopropane compound using same SUMITOMO CHEMICAL CO 2014-07-30 CN disclosed
EP-2636688-A1 METHOD FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, CATALYST FOR OLEFIN POLYMERIZATION, AND OLEFIN POLYMERS Toho Titanium Co., Ltd. (JP) 2013-09-11 EP disclosed
US-20130109789-A1 OLEFIN POLYMERIZATION CATALYST, PROCESS FOR PRODUCING OLEFIN POLYMER, POLYPROPYLENE RESIN COMPOSITION AND ARTICLE COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-02 US disclosed
US-8426537-B2 Solid catalyst component and catalyst for polymerization of olefins, and process for production of olefin polymers using same TOHO TITANIUM CO., LTD. (JP) 2013-04-23 US disclosed
US-20120004378-A1 SOLID CATALYST COMPONENT AND CATALYST FOR POLYMERIZATION OF OLEFINS, AND PROCESS FOR PRODUCTION OF OLEFIN POLYMERS USING SAME TOHO TITANIUM CO., LTD (JP) 2012-01-05 US disclosed
EP-2360190-A1 SOLID CATALYST COMPONENT AND CATALYST FOR POLYMERIZATION OF OLEFINS, AND PROCESS FOR PRODUCTION OF OLEFIN POLYMERS USING SAME Toho Titanium CO., LTD. (JP) 2011-08-24 EP disclosed