SCHEMBL9300725

SCHEMBL9300725

C=C(C(=O)OC)c1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
ALDH1A1 P00352 7/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.48
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
LMNA P02545 2/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
PKM P14618 2/20 0.43
HTT P42858 2/20 0.43
ATM Q13315 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL5057415 0.91 ALDH1A1 (0.46) TDP1ALDH1A1MAPTKDM4ECES2
SCHEMBL4910303 0.83 CA1 (0.57) TDP1ALDH1A1MAPTKDM4ERAB9A
SCHEMBL27468651 0.83 CA1 (0.57) TDP1ALDH1A1MAPTGAALMNA
Butane SCHEMBL7720074 0.83 TDP1 (0.41) TDP1ALDH1A1MAPTKDM4EATM
SCHEMBL9299063 0.83 MAPT (0.48) ALDH1A1MAPTGAALMNASMN1; SMN2
SCHEMBL191087 0.82 HPGD (0.48) ALDH1A1MAPTKDM4ECES2CES1
SCHEMBL4910445 0.82 CA1 (0.59) MAPTCES2CES1SMN1; SMN2RAB9A
SCHEMBL20013249 0.82 LMNA (0.44) TDP1ALDH1A1MAPTKDM4EGAA
SCHEMBL2576355 0.82 RAB9A (0.47) ALDH1A1MAPTKDM4EGAACES2
SCHEMBL536908 0.82 MEN1 (0.48) TDP1ALDH1A1MAPTCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102417482-B Method for synthesizing ozagrel ethyl ester or ozagrel methyl ester TIBET YIMING XIYA BIOLOG MEDICAL TECHNOLOGY CO LTD 2013-03-27 CN claimed
CN-102627559-A Preparation method of methyl 4-methylcinnamate HUBEI YUANCHENG PHARMACEUTICAL 2012-08-08 CN claimed
CN-102502936-A Compound denitrifier for removing low-concentration ammonia nitrogen in waste water and denitrification method using same UNIV CHANGZHOU 2012-06-20 CN claimed
CN-102417482-A Synthetic method of ozagrel ethyl ester or ozagrel methyl ester TIBET YIMING XIYA BIOLOG MEDICAL TECHNOLOGY CO LTD 2012-04-18 CN claimed
US-5352820-A Expedient route to aryl propenoic esters AMERICAN CYANAMID COMPANY 1994-10-04 US claimed
US-4095017-A VINYL MONOMER POLYMERIZATION OR COPOLYMERIZATION CATALYZED BY ORGANOALUMINUM-ORGANOPHOSPHINE-METAL SALT OF A BETA-DIKETONE CATALYST SYSTEM PHILLIPS PETROLEUM COMPANY (US) 1978-06-13 US claimed
CN-114835738-B Method for preparing allyl borate by using biomass-based catalytic material 湖北工程学院 2023-09-29 CN disclosed
CN-113509961-B Application of chitosan/cellulose composite microsphere immobilized copper in preparation of allylsilane compound 湖北工程学院 2023-05-23 CN disclosed
CN-112279770-A Chiral alpha-polysubstituted-alpha-fluorine-containing homoallylamine compound, and preparation method and application thereof 武汉大学 2021-01-29 CN disclosed
CN-110156649-A A kind of method that silver catalysis prepares 3- phenyl -2- phenyl disulphanes Tri- n -butyltin methacrylate compound 浙江农林大学暨阳学院 2019-08-23 CN disclosed
CN-104428292-B Phenylalkyl sulfamate compound and muscle relaxant composition comprising same 生物药品解决方案有限公司 2017-02-08 CN disclosed
CN-104924609-A Apparatus for producing three-dimensional structure, three-dimensional structure and method of producing three-dimensional structure SEIKO EPSON CORP 2015-09-23 CN disclosed
CN-104908318-A Manufacturing method of three-dimensional structure, three-dimensional structure manufacturing apparatus, and three-dimensional structure SEIKO EPSON CORP 2015-09-16 CN disclosed
CN-1861611-A Asymmetric synthesizing process of chiral cyclopropane compound NANJING UNIVERSITY OF TECHNOLOGY (CN) 2006-11-15 CN disclosed
CN-1284064-A 2,3-substituted indole compounds as cox-2 inhibitors PFIZER PHARMA (US) 2001-02-14 CN disclosed
US-5352820-A Expedient route to aryl propenoic esters AMERICAN CYANAMID COMPANY 1994-10-04 US disclosed
CN-1030415-A Saturated heterocycle carboxamide derivatives and its preparation method YAMANOUCHI PHARMA CO LTD (JP) 1989-01-18 CN disclosed
US-4116869-A POLYMERIZATION PHILLIPS PETROLEUM COMPANY (US) 1978-09-26 US disclosed
US-4095017-A VINYL MONOMER POLYMERIZATION OR COPOLYMERIZATION CATALYZED BY ORGANOALUMINUM-ORGANOPHOSPHINE-METAL SALT OF A BETA-DIKETONE CATALYST SYSTEM PHILLIPS PETROLEUM COMPANY (US) 1978-06-13 US disclosed
US-4020018-A Alkene oxide or acrylate polymerization or copolymerization catalyzed by organoaluminum-organophosphine-metal salt of a beta-diketone PHILLIPS PETROLEUM COMPANY (US) 1977-04-26 US disclosed