SCHEMBL1731865

SCHEMBL1731865

CCOC(=O)C(C)CCCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.38
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPA1 O75762 1/20 0.34
POLB P06746 2/20 0.34
HTT P42858 1/20 0.34
CPB2 Q96IY4 1/20 0.34

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
SCHEMBL11358308 1.00 ALDH1A1 (0.40) ALDH1A1CYP2C19CYP3A4LMNAHSD17B10
SCHEMBL14616914 0.85 ALDH1A1 (0.48) ALDH1A1CYP2C19CYP3A4LMNAHSD17B10
SCHEMBL11923821 0.85 SMN1; SMN2 (0.40) ALDH1A1CYP2C19CYP3A4LMNAHSD17B10
SCHEMBL7041660 0.81
SCHEMBL113543 0.81 SMN1; SMN2 (0.45) ALDH1A1CYP2C19CYP3A4LMNAHSD17B10
SCHEMBL8245481 0.81 SMN1; SMN2 (0.45) ALDH1A1CYP2C19CYP3A4LMNAHSD17B10
SCHEMBL13483255 0.81 SMN1; SMN2 (0.45) ALDH1A1CYP2C19CYP3A4LMNAHSD17B10
SCHEMBL28182020 0.81 ALDH1A1 (0.43) ALDH1A1CYP2C19CYP3A4LMNAHSD17B10
SCHEMBL934322 0.79 ALDH1A1 (0.42) ALDH1A1CYP2C19CYP3A4LMNAHSD17B10
SCHEMBL7530179 0.79 GABRR1 (0.50) ALDH1A1CYP2C19CYP3A4LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108260451-B Weeding biodegradable mulching film 浙江大学 2020-04-14 CN claimed
CN-105906553-B A kind of synthetic method of N- benzyl -4- methyl piperidine -3- keto hydrochloride 重庆威尔德·浩瑞医药化工有限公司 2019-01-29 CN claimed
CN-113329632-B Fatty acid derivatives for improving the efficacy of agrochemically active substances 科莱恩国际有限公司 2023-10-27 CN disclosed
CN-113950245-B Herbicidal composition 石原产业株式会社 2023-05-02 CN disclosed
CN-113873887-B Herbicidal composition 石原产业株式会社 2023-03-14 CN disclosed
CN-109561676-B Use of N-substituted pyrrolidones for promoting penetration of agrochemical active ingredients 科莱恩国际有限公司 2022-04-29 CN disclosed
CN-114287441-A Granular gibberellin preparation 瓦伦特生物科学有限责任公司 2022-04-08 CN disclosed
CN-114258919-A Weeding composition 王剑英 2022-04-01 CN disclosed
CN-113329632-A Fatty acid derivatives for improving the effect of agrochemically active substances 科莱恩国际有限公司 2021-08-31 CN disclosed
CN-108471748-B Concentrated gibberellin solution formulations 瓦伦特生物科学有限责任公司 2021-04-23 CN disclosed
CN-111200933-A Active ingredient compositions comprising N-enoyl-N-alkylglucamides and their use 科莱恩国际有限公司 2020-05-26 CN disclosed
EP-1852433-A1 CARBAZOLE DERIVATIVE, SOLVATE THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Zeria Pharmaceutical Co., Ltd. (JP) 2007-11-07 EP disclosed
CN-101048402-A Carbazole derivative, solvate thereof, or pharmaceutically acceptable salt thereof ZERIA PHARM CO LTD (JP) 2007-10-03 CN disclosed
EP-1305277-A2 PROCESS FOR THE PREPARATION OF ALKYL 1-METHYLCYCLOPROPANECARBOXYLATE EASTMAN CHEMICAL COMPANY (US) 2003-05-02 EP disclosed
US-6552217-B2 Process for the preparation of alkyl 1-methylcyclopropanecarboxylate EASTMAN CHEMICAL COMPANY 2003-04-22 US disclosed
WO-2002010116-A2 PROCESS FOR THE PREPARATION OF ALKYL 1-METHYLCYCLOPROPANECARBOXYLATE EASTMAN CHEMICAL COMPANY (US) 2002-02-07 WO disclosed
US-20020016493-A1 Process for the preparation of alkyl 1-methylcyclopropanecarboxylate EASTMAN CHEMICAL COMPANY 2002-02-07 US disclosed
US-4520209-A Process for cyclizing upsilon-chlorocarboxylic acids DEGUSSA AKTIENGESELLSCHAFT (DE) 1985-05-28 US disclosed
US-4305876-A CULTURE PRODUCT INTERMEDIATE IN THE PREPARATION OF VITAMINS E AND K HOFFMANN-LA ROCHE, INC. (US) 1981-12-15 US disclosed
US-4138289-A ASYMMETRIC HYDROGENATION BY MICROORGANISM, FERMENTATION HOFFMANN-LA ROCHE INC. (US) 1979-02-06 US disclosed