SCHEMBL8971288

SCHEMBL8971288

C=CCOC(=O)C(C)=CCCCC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.49
ALDH1A1 P00352 2/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.38
EP300 Q09472 1/20 0.34
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.32
PLA2G2C Q5R387 1/20 0.32
FAAH O00519 2/20 0.32
GRIK1 P39086 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9149500 1.00 TSHR (0.49) TSHRALDH1A1CYP2D6CYP2C19HPGD
SCHEMBL325189 0.95 TSHR (0.51) TSHRALDH1A1CYP2D6CYP2C19HPGD
SCHEMBL8690100 0.95 TSHR (0.51) TSHRALDH1A1CYP2D6CYP2C19HPGD
SCHEMBL9709315 0.93 TSHR (0.54) TSHRCYP2D6CYP2C19HPGDEP300
SCHEMBL10761851 0.93 TSHR (0.54) TSHRCYP2D6CYP2C19HPGDEP300
SCHEMBL3425015 0.93 TSHR (0.54) TSHRCYP2D6CYP2C19HPGDEP300
SCHEMBL10764198 0.89 TSHR (0.43) TSHRALDH1A1CYP2D6CYP2C19HPGD
SCHEMBL25389663 0.83 TSHR (0.43) TSHRCYP2D6CYP2C19HPGDEP300
SCHEMBL29725187 0.82 CYP2D6 (0.37) TSHRALDH1A1CYP2D6CYP2C19CYP3A4
SCHEMBL16671651 0.82 TSHR (0.35) TSHRCYP2D6CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114031818-A Organic/inorganic nano composite microsphere visual light material and application thereof 江苏视科新材料股份有限公司 2022-02-11 CN claimed
CN-1159809-A Process for making quinolonyl lactam antimicrobials and novel intermediate compounds PROCTER & GAMBLE (US) 1997-09-17 CN claimed
US-4690881-A Liquid developer for electrophotography RICOH CO., LTD. (JP) 1987-09-01 US claimed
CN-115594817-B Acrylic acid modified polyurethane resin for pure water-based ink and preparation method thereof 广州立诺新材料科技有限公司 2023-05-09 CN disclosed
CN-114031818-A Organic/inorganic nano composite microsphere visual light material and application thereof 江苏视科新材料股份有限公司 2022-02-11 CN disclosed
CN-114031725-A Preparation method of resin lens for correcting color vision 江苏视科新材料股份有限公司 2022-02-11 CN disclosed
CN-110128936-B Surface treating agent for synthetic leather and preparation method thereof 江苏多森新材料科技有限公司 2021-07-16 CN disclosed
CN-112680096-A Preparation method of surface treating agent for synthetic leather 朱建余 2021-04-20 CN disclosed
CN-105694749-B Pressure-sensitive adhesive sheet for use in semiconductor production 日东电工株式会社 2020-07-24 CN disclosed
US-5523076-A ALKYL METHACRYLATE AND HYDROXYALKYL METHACRYLATE COPOLYMER CREATIVE NAIL DESIGN, INC. (US) 1996-06-04 US disclosed
US-5434147-A Bactericides PROCTOR & GAMBLE PHARMACEUTICALS, INC. (US) 1995-07-18 US disclosed
EP-0366641-A2 Novel antimicrobial quinolonyl lactam esters Norwich Eaton Pharmaceuticals, Inc. (US) 1990-05-02 EP disclosed
US-4690881-A Liquid developer for electrophotography RICOH CO., LTD. (JP) 1987-09-01 US disclosed