SCHEMBL888583

SCHEMBL888583

CCC(CC)(C(=O)OCC(C)C)C(=O)OCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
MMP8 P22894 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PRKCA P17252 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RAB9A P51151 1/20 0.32
P2RX4 Q99571 1/20 0.32
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
NR1H3 Q13133 1/20 0.31

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
SCHEMBL29008752 0.94 TSHR (0.39) TSHRALDH1A1SMN1; SMN2MMP8MEN1
SCHEMBL9052829 0.94 MMP8 (0.43) TSHRALDH1A1SMN1; SMN2MMP8MEN1
SCHEMBL5526857 0.90 TSHR (0.39) TSHRALDH1A1SMN1; SMN2MMP8MEN1
SCHEMBL28557115 0.86 TSHR (0.46) TSHRALDH1A1SMN1; SMN2L3MBTL1CYP2C9
SCHEMBL27817463 0.85 TSHR (0.36) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10358539 0.85 MMP8 (0.47) TSHRALDH1A1SMN1; SMN2MMP8MEN1
SCHEMBL27836849 0.83 TSHR (0.41) TSHRALDH1A1SMN1; SMN2MMP8MEN1
SCHEMBL1786660 0.82 TSHR (0.44) TSHRALDH1A1SMN1; SMN2MMP8PRKCA
SCHEMBL234539 0.82 TSHR (0.43) TSHRALDH1A1SMN1; SMN2MMP8MEN1
SCHEMBL6228066 0.82 TSHR (0.43) TSHRALDH1A1SMN1; SMN2MMP8PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116769148-A Water-based polyester, and preparation method and application thereof 苏州瀚海新材料有限公司 2023-09-19 CN claimed
CN-104513330-B A kind of catalyst systems for olefin polymerization and its application 中国石油化工股份有限公司 2017-07-28 CN claimed
CN-104513332-B Catalyst system and its application for olefinic polymerization 中国石油化工股份有限公司 2017-06-06 CN claimed
CN-104558292-B One kind is used for olefin polymerization catalysis preparation method 中国石油化工股份有限公司 2017-05-31 CN claimed
CN-104558291-B One kind is used for olefin polymerization catalysis preparation method 中国石油化工股份有限公司 2017-05-31 CN claimed
CN-106608939-A Preparation method of catalyst component for olefin polymerization 中国石油化工股份有限公司 2017-05-03 CN claimed
CN-106608940-A Preparation method for catalyst components used for olefin polymerization 中国石油化工股份有限公司 2017-05-03 CN claimed
CN-104558293-B Catalyst component for olefin polymerization and catalyst 中国石油化工股份有限公司 2017-02-15 CN claimed
CN-105315390-A Catalyst composition for olefin polymerization and application thereof BEIJING COMBINE TECH CO LTD 2016-02-10 CN claimed
CN-104558293-A Catalyst component for olefin polymerization and catalyst CHINA PETROLEUM & CHEMICAL 2015-04-29 CN claimed
CN-104558292-A Preparation method of catalyst for olefin polymerization CHINA PETROLEUM & CHEMICAL 2015-04-29 CN claimed
CN-104558290-A Components of catalyst for polymerization of olefins and catalyst CHINA PETROLEUM & CHEMICAL 2015-04-29 CN claimed
CN-104558291-A Preparation method of catalyst for olefin polymerization CHINA PETROLEUM & CHEMICAL 2015-04-29 CN claimed
CN-104513327-A Olefin polymerization catalyst composition and applications thereof CHINA PETROLEUM & CHEMICAL 2015-04-15 CN claimed
CN-104513330-A Catalyst system used in olefin polymerization and application thereof CHINA PETROLEUM & CHEMICAL 2015-04-15 CN claimed
CN-104513332-A Catalyst system used in olefin polymerization and application thereof CHINA PETROLEUM & CHEMICAL 2015-04-15 CN claimed
CN-103764690-A Process for producing solid catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for producing olefin polymer TOHO TITANIUM CO LTD 2014-04-30 CN claimed
CN-117964486-A Production method of diethyl isobutyl malonate 潍坊晶润化工有限公司 2024-05-03 CN disclosed
CN-87107751-A Be used for alpha-olefines polymerization is combined into the component and the catalyzer of stereoregular polymers having narrow molecular weight distribution 1988-06-22 CN disclosed
CN-87107496-A Low-crystalline propylene random copolymer composition, process for producing the same, and polypropylene composite laminate MITSUI PETROCHEMICAL IND (JP) 1988-04-20 CN disclosed