SCHEMBL888276

SCHEMBL888276

CCCCOC(=O)c1ccccc1C(=O)OCC

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.89
TDP1 Q9NUW8 3/20 0.89
L3MBTL1 Q9Y468 2/20 0.89
CYP3A4 P08684 3/20 0.80
MAPK1 P28482 3/20 0.80
TP53 P04637 1/20 0.80
ALDH1A1 P00352 8/20 0.77
LMNA P02545 2/20 0.77
HSD17B10 Q99714 3/20 0.71
KDM4E B2RXH2 2/20 0.62
POLB P06746 1/20 0.62
CA2 P00918 1/20 0.54
CDC25B P30305 1/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ESR1 P03372 1/20 0.53
CYP2D6 P10635 1/20 0.53
NR1H2 P55055 1/20 0.53
RNASEL Q05823 1/20 0.53

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
Dibutyl Phthalate SCHEMBL30860160 1.00 TSHR (0.89) TSHRTDP1L3MBTL1CYP3A4MAPK1
Dibutyl Phthalate SCHEMBL1532115 1.00 TSHR (0.89) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL7540146 0.95 TSHR (0.90) TSHRTDP1L3MBTL1CYP3A4MAPK1
Dibutyl Phthalate SCHEMBL29353340 0.94 TSHR (1.00) TSHRTDP1L3MBTL1CYP3A4MAPK1
Dibutyl Phthalate SCHEMBL2330224 0.94 TSHR (1.00) TSHRTDP1L3MBTL1CYP3A4MAPK1
Dibutyl Phthalate SCHEMBL24051 0.94 TSHR (1.00) TSHRTDP1L3MBTL1CYP3A4MAPK1
Dibutyl Phthalate SCHEMBL4596231 0.94 TSHR (1.00) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL10623274 0.94 TSHR (0.78) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6400469 0.93 ALDH1A1 (0.90) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6404715 0.93 ALDH1A1 (0.90) TSHRTDP1L3MBTL1CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116769090-A Preparation method of butene-1 polymer 中国石油化工股份有限公司 2023-09-19 CN claimed
CN-116769088-A Preparation method of high isotactic polybutene-1 中国石油化工股份有限公司 2023-09-19 CN claimed
CN-116769083-A Preparation method and device of 1-butene polymer 中国石油化工股份有限公司 2023-09-19 CN claimed
CN-116769095-A 1-butene solution polymerization method and device 中国石油化工股份有限公司 2023-09-19 CN claimed
CN-116769096-A Preparation method of high isotactic polybutene-1 中国石油化工股份有限公司 2023-09-19 CN claimed
CN-116769091-A Preparation method of polybutene-1 resin 中国石油化工股份有限公司 2023-09-19 CN claimed
CN-116769089-A Preparation process and device of polybutene-1 resin 中国石油化工股份有限公司 2023-09-19 CN claimed
CN-114755316-A Method for screening dangerous substances in food contact material and application 广州质量监督检测研究院 2022-07-15 CN claimed
CN-103157430-B Sea-urchin-shaped core-shell type Fe3O4@TiO2 magnetic microspheres, and preparation and application thereof DALIAN CHEMICAL PHYSICS INST 2014-12-10 CN claimed
CN-103157430-A Sea-urchin-shaped core-shell type Fe3O4@TiO2 magnetic microspheres, and preparation and application thereof DALIAN CHEMICAL PHYSICS INST 2013-06-19 CN claimed
US-6420303-B1 Production of powder catalysts FINA RESEARCH, S.A. (BE) 2002-07-16 US claimed
EP-1152980-A1 PRODUCTION OF POWDER CATALYSTS FINA RESEARCH S.A. (BE) 2001-11-14 EP claimed
EP-0297163-B2 A solid catalyst component for the polymerization of olefins and an olefin polymerization catalyst TOHO TITANIUM CO LTD (JP) 2000-08-23 EP claimed
WO-2000041969-A1 PRODUCTION OF POWDER CATALYSTS FINA RESEARCH S.A. (BE) 2000-07-20 WO claimed
EP-1020404-A1 Production of powder catalysts FINA RESEARCH S.A. (BE) 2000-07-19 EP claimed
EP-0321868-A2 Water-based vinyl acetate-ethylene emulsion copolymer contact adhesive AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-06-28 EP claimed
US-4816433-A COORDINATION CATALYSTS OF TITANIUM TETRACHLORIDE, PHTHALIC DIESTERS, SILANE COMPOUNDS TOHO TITANIUM CO., LTD. (JP) 1989-03-28 US claimed
EP-0297163-A1 A solid catalyst component for the polymerization of olefins and an olefin polymerization catalyst TOHO TITANIUM CO. LTD. (JP) 1989-01-04 EP claimed
US-4686200-A Catalyst for the polymerization of olefins TOHO TITANIUM CO., LTD. (JP) 1987-08-11 US claimed
US-4640906-A ORGANOALUMINUM COMPOUND, PIPERIDINE DERIVATIVE AND SOLID FROM DIALKOXYMAGNESIUM COMPOUND, AROMATIC DIESTER AND HALOGENATED HYDROCARBON TOHO TITANIUM CO., LTD. (JP) 1987-02-03 US claimed