SCHEMBL165759

SCHEMBL165759

O=C(O)CC(=CCc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
RECQL P46063 1/20 0.44
AKR1B1 P15121 1/20 0.43
TOP1 P11387 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GRIK1 P39086 1/20 0.41
MAOB P27338 1/20 0.41
KEAP1 Q14145 1/20 0.41
CPB1 P15086 1/20 0.40
MMP12 P39900 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
ABCC4 O15439 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38

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
Oxalic Acid SCHEMBL27556544 0.98 TSHR (0.45) TSHRCYP2C19CYP3A4CYP2C9RECQL
Ammonia Solution, Strong SCHEMBL27347361 0.98 TSHR (0.45) TSHRCYP2C19CYP3A4CYP2C9RECQL
SCHEMBL800740 0.82 CYP3A4 (0.61) TSHRCYP3A4CYP2C9AKR1B1TOP1
SCHEMBL10876339 0.81 CYP3A4 (0.43) TSHRCYP2C19CYP3A4CYP2C9AKR1B1
SCHEMBL10705265 0.81 CYP2C9 (0.46) CYP3A4CYP2C9AKR1B1TOP1GRIK1
SCHEMBL5727501 0.81 CYP2C9 (0.46) CYP3A4CYP2C9AKR1B1TOP1GRIK1
SCHEMBL27495225 0.80 AKR1B1 (0.46) CYP2C19RECQLAKR1B1TOP1MAOB
SCHEMBL7353117 0.80 KDM4E (0.47) TSHRCYP3A4KDM4EPTGS1HTT
SCHEMBL800742 0.79 KEAP1 (0.53) CYP3A4CYP2C9GRIK1KEAP1HDAC8
SCHEMBL1704959 0.78 CYP3A4 (0.43) CYP2C19CYP3A4CYP2C9RECQLTOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110001172-A A kind of gradient dissipative structure antistatic veener plate and preparation method thereof 台州博尔特塑胶电子有限公司 2019-07-12 CN claimed
CN-109796721-A A kind of ABS alloy material easy to clean and preparation method thereof 会通新材料股份有限公司 2019-05-24 CN claimed
CN-109233185-A PA/ABS composite material and preparation method 惠州市沃特新材料有限公司 2019-01-18 CN claimed
CN-108997991-A A kind of compound pour-point depressant 中国石油大学(华东) 2018-12-14 CN claimed
CN-105889756-B A kind of waxy crude oil pour-viscosity reduction complexing agent 中国石油大学(华东) 2018-09-07 CN claimed
CN-108218117-A A kind of wastewater treatment equipment and waste water treatment process 广州市绿潮环保工程有限公司 2018-06-29 CN claimed
CN-108102273-A A kind of high tenacity acryl plates and preparation method thereof 温州中祥光电科技发展有限公司 2018-06-01 CN claimed
CN-108091779-A A kind of lithium battery is packed for steel plastic compount film 廖雪光 2018-05-29 CN claimed
CN-107257820-A Fibre-reinforced anisotropic foam body 巴斯夫欧洲公司 2017-10-17 CN claimed
EP-2145921-B1 Vulcanizable polymer compositions ARLANXEO DEUTSCHLAND GMBH (DE) 2017-01-25 EP claimed
CN-1683453-A Ductility increased nylon composition CHINA PETROCHEMICAL CORP (CN) 2005-10-19 CN claimed
CN-1211472-C Water based core rod lubricating agent QIDONG YOUXILU CHEMICAL INDUST (CN) 2005-07-20 CN claimed
CN-1209022-C Avilamycin water-suspension nano capsule preparation and method for preparing same HEBEI SCIENCE AND TECHNOLOGY U (CN) 2005-07-06 CN claimed
CN-1493674-A Water based core rod lubricating agent 启东尤希路化学工业有限公司 2004-05-05 CN claimed
CN-1491558-A Water suspension acetamiprid nano capsule prepn and its preparing method 河北科技大学 2004-04-28 CN claimed
CN-1491552-A Methyl-amino-ivermectin water suspension nano capsule prepn and its preparing method 河北科技大学 2004-04-28 CN claimed
CN-1491551-A Ivermectin water suspension nano capsule prepn and its preparing method 河北科技大学 2004-04-28 CN claimed
CN-1491541-A Pesticide water suspending nano capsule prepn and its preparing method 河北科技大学 2004-04-28 CN claimed
CN-1486347-A Graft copolymer and thermoplastic resin composition 三菱丽阳株式会社 2004-03-31 CN claimed
CN-1437848-A Avilamycin water-suspension nano capsule preparation and method for preparing same HEBEI SCIENCE AND TECHNOLOGY U (CN) 2003-08-27 CN claimed