SCHEMBL5166543

SCHEMBL5166543

CCOC(=O)c1cccc(C(=O)OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.58
CYP4A11 Q02928 2/20 0.58
ALDH1A1 P00352 1/20 0.57
TSHR P16473 1/20 0.57
KMT2A Q03164 1/20 0.57
LOXL2 Q9Y4K0 1/20 0.57
RAB9A P51151 3/20 0.56
KDM4E B2RXH2 2/20 0.56
NPC1 O15118 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55

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
SCHEMBL110276 0.92 CYP4F2 (0.65) CYP4F2CYP4A11ALDH1A1TSHRKMT2A
SCHEMBL7943889 0.91 GPR17 (0.56) CYP4F2CYP4A11ALDH1A1TSHRKMT2A
SCHEMBL29427226 0.90 CYP4F2 (0.63) CYP4F2CYP4A11ALDH1A1TSHRKMT2A
SCHEMBL28376879 0.90 CYP4F2 (0.63) CYP4F2CYP4A11ALDH1A1TSHRKMT2A
SCHEMBL16175866 0.88 KDM4E (0.68) ALDH1A1TSHRKMT2ARAB9AKDM4E
SCHEMBL16850624 0.88 KDM4E (0.68) ALDH1A1TSHRKMT2ARAB9AKDM4E
SCHEMBL259243 0.88 LOXL2 (0.53) CYP4F2CYP4A11ALDH1A1TSHRKMT2A
SCHEMBL27486029 0.87 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1TSHRKMT2A
Ethyl Benzoate SCHEMBL677239 0.87 TSHR (0.73) ALDH1A1TSHRKMT2ARAB9ANPC1
SCHEMBL31135464 0.86 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101056628-A Ester derivatives and medicinal use thereof JAPAN TOBACCO INC (JP) 2007-10-17 CN claimed
CN-1214239-A Light-screening agents HOFFMANN LA ROCHE (CH) 1999-04-21 CN claimed
US-10338290-B2 Cellulose ester film, polarizing plate, and liquid crystal display device FUJIFILM CORPORATION (JP) 2019-07-02 US disclosed
CN-108472381-A COMPOUNDS AND THERAPEUTIC USES THEREOF 森陶里治疗有限公司 2018-08-31 CN disclosed
CN-107613953-A Composition for keratin fibers 莱雅公司 2018-01-19 CN disclosed
CN-104203943-B Substituted pyrimidine compound and its purposes as SYK inhibitor 盖诺斯克公司 2017-12-29 CN disclosed
CN-107417687-A Five-ring heterocycles simultaneously [3,4 d] pyridazinone compound, its preparation method, pharmaceutical composition and its application 中国科学院上海药物研究所 2017-12-01 CN disclosed
CN-104177377-A 3-Position diamine beta-carboline alkali compound, and preparation method, medicinal composition and use thereof XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD 2014-12-03 CN disclosed
EP-1249471-B1 Polypropylene-based resins and polypropylene-based resin compositions PRIME POLYMER CO LTD (JP) 2013-06-26 EP disclosed
EP-1293495-B1 PROCESS FOR THE PREPARATION OF BROMOISOPHTHALIC ACID COMPOUNDS NISSAN CHEMICAL IND LTD (JP) 2013-04-24 EP disclosed
CN-101056628-B Ester derivatives and medicinal use thereof JAPAN TOBACCO INC 2011-05-25 CN disclosed
EP-0284005-A2 Method of production of polyolefins IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1988-09-28 EP disclosed
EP-0257131-A2 Method for producing butene-1 polymer IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1988-03-02 EP disclosed
EP-0206172-A1 Method for producing polyolefins IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1986-12-30 EP disclosed
EP-0068695-A1 Blends of poly (parabanic acids) with other polymers EXXON RESEARCH AND ENGINEERING COMPANY (US) 1983-01-05 EP disclosed
US-4330453-A Polymers characterized by 1,3-imidazolidine-1,3-diyl rings plasticized with esters of aromatic carboxylic acids EXXON RESEARCH & ENGINEERING CO. (US) 1982-05-18 US disclosed
EP-0049047-A1 Polymers having 1,3-imidazolidine -1,3-diyl rings plasticized with aromatic carboxylic acid esters EXXON RESEARCH AND ENGINEERING COMPANY (US) 1982-04-07 EP disclosed
US-4207411-A TENSILE STRENGTH, DUCTILITY, AND TOUGHNESS PHILLIPS PETROLEUM COMPANY (US) 1980-06-10 US disclosed
US-4069277-A ZINC DIHYDROCARBYL DITHIOPHOSPHINATE PHILLIPS FIBERS CORPORATION (US) 1978-01-17 US disclosed
US-4059653-A ZINC ALKYL SULFINATE PHILLIPS PETROLEUM COMPANY (US) 1977-11-22 US disclosed