SCHEMBL406700

SCHEMBL406700

O=CCc1ccc2c(c1)OCO2

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.70
CYP1A2 P05177 2/20 0.70
MAPT P10636 1/20 0.70
TAAR1 Q96RJ0 3/20 0.56
CMA1 P23946 1/20 0.56
ALDH1A1 P00352 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
HSD17B10 Q99714 1/20 0.55
SLC6A4 P31645 2/20 0.55
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
CYP2D6 P10635 1/20 0.51
DPP7 Q9UHL4 1/20 0.51
GAA P10253 1/20 0.50
MIF P14174 1/20 0.50

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
SCHEMBL30194501 1.00 CYP3A4 (0.70) CYP3A4CYP1A2MAPTTAAR1CMA1
Propane SCHEMBL7426260 0.94 CYP3A4 (0.64) CYP3A4CYP1A2MAPTTAAR1CMA1
Catechol SCHEMBL28001039 0.88 CYP3A4 (0.57) CYP3A4CYP1A2MAPTTAAR1CMA1
SCHEMBL1468162 0.88 MAPT (0.55) CYP3A4CYP1A2MAPTTAAR1CMA1
SCHEMBL27523332 0.87 CYP3A4 (0.64) CYP3A4CYP1A2MAPTTAAR1CMA1
SCHEMBL6699486 0.84 CYP3A4 (0.60) CYP3A4CYP1A2MAPTTAAR1CMA1
SCHEMBL6699487 0.84 CYP3A4 (0.60) CYP3A4CYP1A2MAPTTAAR1CMA1
SCHEMBL869843 0.83 TAAR1 (0.61) CYP3A4CYP1A2MAPTTAAR1CMA1
Safrole SCHEMBL29368306 0.82 CYP3A4 (1.00) CYP3A4CYP1A2MAPTTAAR1CMA1
Safrole SCHEMBL2039562 0.82 CYP3A4 (1.00) CYP3A4CYP1A2MAPTTAAR1CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119769696-A Transparent micro-mastic essence with low surfactant content and preparation method thereof 江南大学 2025-04-08 CN claimed
CN-117897439-A Method for screening solvent for extraction of polyvinyl chloride, method for recovering waste material, and recovered polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-108929400-B Nickel catalyst system, high-performance polybutadiene and preparation method thereof 北京化工大学 2023-03-14 CN claimed
CN-113831318-A Synthetic method of piperonylethylamine 四川大学 2021-12-24 CN claimed
CN-113387919-A Method for continuous flow synthesis of piperonyl formaldehyde 爱斯特(成都)生物制药股份有限公司 2021-09-14 CN claimed
CN-108929400-A A kind of nickel catalyst system, high-performance polybutadiene and preparation method thereof 北京化工大学 2018-12-04 CN claimed
CN-105492588-A Detergent or cleaning agent comprising microcapsules PROCTER & GAMBLE 2016-04-13 CN claimed
CN-103864768-B Ligustrazine stilbenoids derivatives and preparation method thereof and application GUANGXI NORMAL UNIVERSITY (CN) 2016-04-06 CN claimed
CN-103215624-B A kind of acidic cyanide-free copper-tin alloy electroplate liquid JIANGMEN REACH FINE CHEMICAL CO., LTD. (CN) 2016-03-23 CN claimed
CN-103687850-B A kind of replacement cinnamamide derivative, preparation method and application thereof TASLY PHARMACEUTICAL GROUP CO.,LTD. (CN) 2016-03-09 CN claimed
CN-1327478-A Laundry detergent and/or fabric care compositions PROCTER & GAMBLE (US) 2001-12-19 CN claimed
CN-1070835-C Method for preparation of protocatechuic aldehyde UBE INDUSTRIES (JP) 2001-09-12 CN claimed
CN-1309690-A Amine reactive compounds comprising one or more active ingredients PROCTER & GAMBLE (US) 2001-08-22 CN claimed
CN-1196063-A Hydrolyzable resin containing aldehyde bonded thereto and self-polishing antifouling paint NIPPON PAINT CO LTD (JP) 1998-10-14 CN claimed
CN-1039546-C Alkaline electroplating method for bright zinc-nickel alloy UNIV XIAMEN (CN) 1998-08-19 CN claimed
CN-1037603-C Medicinal compound for anti-worm PARASITIC DISEASE PREVENTION & (CN) 1998-03-04 CN claimed
CN-1161954-A Method for preparation of protocatechuic aldehyde UBE INDUSTRIES (JP) 1997-10-15 CN claimed
CN-1103868-A Medicinal compound for anti-worm PARASITIC DISEASE PREVENTION & (CN) 1995-06-21 CN claimed
CN-1094765-A Basic plating method for bright Zn-Ni alloy UNIV XIAMEN (CN) 1994-11-09 CN claimed
CN-1011318-B ELECTROPLATE SOLUTION COMPOSED OF BRIGHT SN-ZN ALLOY TIANJIN COMMUNICATION BROADCAS (CN) 1991-01-23 CN claimed