SCHEMBL28020196

SCHEMBL28020196

CC(C(=O)O)c1ccc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
TRPV1 Q8NER1 1/20 0.41
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SRD5A2 P31213 1/20 0.37
ELANE P08246 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL28013375 0.91 AKR1C3 (0.42) AKR1C3AKR1C2NR1H4TRPV1CYP2C9
SCHEMBL740967 0.83 CYP2C9 (0.48) AKR1C3AKR1C2NR1H4CYP2C9CYP1A2
Hydrogen Peroxide SCHEMBL29245572 0.82 ALDH1A1 (0.42) TRPV1CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL8534532 0.79 TRPV1 (0.37) AKR1C3AKR1C2TRPV1CYP2C9CYP1A2
SCHEMBL30428378 0.78 CES2 (0.50) AKR1C3AKR1C2ALDH1A1
SCHEMBL7720160 0.78 CYP3A4 (0.54) AKR1C3AKR1C2NR1H4CYP2C9CYP1A2
SCHEMBL28493191 0.78 FFAR1 (0.41) TRPV1CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL30624476 0.77 ALDH1A1 (0.40) TRPV1CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL4447790 0.77 ALDH1A1 (0.40) TRPV1CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL7943128 0.77 ALDH1A1 (0.45) TRPV1CYP2C9CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444727-A Water tree resistant modified propenyl thermoplastic insulating material and preparation method and application thereof 中国石油化工股份有限公司 2023-07-18 CN claimed
CN-116444931-A Electric-resistant dendronized thermoplastic insulating material, and preparation method and application thereof 中国石油化工股份有限公司 2023-07-18 CN claimed
CN-116444930-A Thermoplastic insulating material and preparation method and application thereof 中国石油化工股份有限公司 2023-07-18 CN claimed
CN-116453749-A Water tree-resistant cable and preparation method thereof 中国石油化工股份有限公司 2023-07-18 CN claimed
CN-106589921-B A kind of daiamid composition and preparation method thereof 中广核瑞胜发(厦门)新材料有限公司 2018-06-01 CN claimed
CN-107286475-A A kind of PP foam material and preparation method thereof 天津市大林新材料科技股份有限公司 2017-10-24 CN claimed
CN-104710616-B It is a kind of to can be used for the polyimide compositions of laser direct forming 东莞市三条化成实业有限公司 2017-07-04 CN claimed
CN-106589921-A Polyamide composition and preparing method thereof 中广核瑞胜发(厦门)新材料有限公司 2017-04-26 CN claimed
CN-104725718-A Polypropylene structure foamed material with favorable appearance and preparation method thereof SHANGHAI KINGFA SCI & TECH CO 2015-06-24 CN claimed
CN-116444727-A Water tree resistant modified propenyl thermoplastic insulating material and preparation method and application thereof 中国石油化工股份有限公司 2023-07-18 CN disclosed
CN-116444931-A Electric-resistant dendronized thermoplastic insulating material, and preparation method and application thereof 中国石油化工股份有限公司 2023-07-18 CN disclosed
CN-116444930-A Thermoplastic insulating material and preparation method and application thereof 中国石油化工股份有限公司 2023-07-18 CN disclosed
CN-116453749-A Water tree-resistant cable and preparation method thereof 中国石油化工股份有限公司 2023-07-18 CN disclosed
CN-106589921-B A kind of daiamid composition and preparation method thereof 中广核瑞胜发(厦门)新材料有限公司 2018-06-01 CN disclosed
CN-107286475-A A kind of PP foam material and preparation method thereof 天津市大林新材料科技股份有限公司 2017-10-24 CN disclosed
CN-107141593-A The manufacture method and plastic material and household electrical appliance of plastic material 佛山市顺德区美的洗涤电器制造有限公司 2017-09-08 CN disclosed
CN-106867250-A A kind of daiamid composition for quick injection molding and preparation method thereof 上海凯赛生物技术研发中心有限公司 2017-06-20 CN disclosed
CN-106589921-A Polyamide composition and preparing method thereof 中广核瑞胜发(厦门)新材料有限公司 2017-04-26 CN disclosed
CN-104725718-A Polypropylene structure foamed material with favorable appearance and preparation method thereof SHANGHAI KINGFA SCI & TECH CO 2015-06-24 CN disclosed