SCHEMBL5162087

SCHEMBL5162087

Cc1c(C)c(C)c2c(c1C)=c1ccccc1=2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
ACHE P22303 3/20 0.39
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.32
PIK3CA P42336 1/20 0.32
CYP2A6 P11509 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
Isothiocyanate SCHEMBL17289582 0.84
SCHEMBL2522959 0.84 CYP3A4 (0.32) CYP3A4
SCHEMBL25316694 0.79 CYP3A4 (0.35) TSHRCYP3A4PIK3CA
SCHEMBL3208563 0.69 CYP1A2 (0.39) TSHRACHECYP1A2CYP2A6
SCHEMBL7950742 0.67 ACHE (0.47) TSHRACHECA1CA2CA7
Ethane SCHEMBL5905678 0.65 TSHR (0.43) TSHRACHELMNAALOX12CA1
SCHEMBL357443 0.65 CYP1A2 (0.53) TSHRACHELMNAALOX12CYP1A2
SCHEMBL29660297 0.65 CYP1A2 (0.53) TSHRACHELMNAALOX12CYP1A2
SCHEMBL58153 0.64 ALOX12 (0.46) TSHRACHELMNAALOX12CA1
SCHEMBL49871 0.64 ALOX12 (0.46) TSHRACHELMNAALOX12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104254555-A Epoxy resin composition, resin sheet, cured product and phenoxy resin NIPPON STEEL & SUMIKIN CHEM CO 2014-12-31 CN claimed
EP-1569512-B1 PARTICULATE SUSPENSIONS SYNGENTA LTD (GB) 2007-02-28 EP claimed
US-4245082-A Polyesters derived from 3,4'-dihydroxy-benzophenones or 3-hydroxy-4'-(4-hydroxyphenyl-)benzophenone and certain aromatic dicarboxylic acids and filaments thereof E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-01-13 US claimed
CN-111133075-B Adhesive, laminate, member for battery, and battery DIC株式会社 2021-11-23 CN disclosed
CN-111133075-A Adhesive, laminate, member for battery, and battery DIC株式会社 2020-05-08 CN disclosed
CN-104254555-A Epoxy resin composition, resin sheet, cured product and phenoxy resin NIPPON STEEL & SUMIKIN CHEM CO 2014-12-31 CN disclosed
CN-101622310-B Polylactic acid composition TEIJIN LTD 2012-11-14 CN disclosed
CN-1835946-B Epoxy compound and cured epoxy resin product SUMITOMO CHEMICAL CO 2010-06-16 CN disclosed
CN-101622310-A Polylactic acid composition TEIJIN LTD 2010-01-06 CN disclosed
CN-1835946-A Epoxy compound and cured epoxy resin product SUMITOMO CHEMICAL CO (JP) 2006-09-20 CN disclosed
EP-1636209-A1 EPOXY COMPOUND AND CURED EPOXY RESIN PRODUCT Sumitomo Chemical Company, Limited (JP) 2006-03-22 EP disclosed
CN-1219820-C Acrylic rubber composition and vulcanizate ZEON CORP (JP) 2005-09-21 CN disclosed
WO-2004113327-A1 EPOXY COMPOUND AND CURED EPOXY RESIN PRODUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-29 WO disclosed
CN-1505659-A Acrylic rubber composition and vulcanized rubber �ձ�������ʽ���� 2004-06-16 CN disclosed
CN-1471552-A Varnish for laminate or preprey, laminate or prepreg obtained with this varnish, and printed circuit board made with this laminate or prepreg �������ɹ�ҵ��ʽ���� 2004-01-28 CN disclosed
CN-1104277-C Microencapsulated compositions ZENECA LTD (GB) 2003-04-02 CN disclosed
CN-1222095-A Microencapsulated compositions ZENECA LTD (GB) 1999-07-07 CN disclosed
US-4871816-A Triblock polyarylene polyether with polysiloxane segment and impact-improved blends thereof THE B.F. GOODRICH COMPANY (US) 1989-10-03 US disclosed
EP-0156599-A1 Composite carbon fibre and thermoplastic fiber blends BASF Aktiengesellschaft (DE) 1985-10-02 EP disclosed
US-4245082-A Polyesters derived from 3,4'-dihydroxy-benzophenones or 3-hydroxy-4'-(4-hydroxyphenyl-)benzophenone and certain aromatic dicarboxylic acids and filaments thereof E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-01-13 US disclosed