SCHEMBL3750319

SCHEMBL3750319

CCCCC(CC)C(=O)OCC(CC)CC

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.63
CA1 P00915 4/20 0.63
CYP3A4 P08684 4/20 0.56
TSHR P16473 3/20 0.56
ATM Q13315 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPK1 P28482 2/20 0.53
RECQL P46063 1/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 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
SCHEMBL55328 0.94 CYP3A4 (0.64) CA2CA1CYP3A4TSHRATM
SCHEMBL7223059 0.90 CYP3A4 (0.58) CA2CA1CYP3A4TSHRATM
SCHEMBL28900906 0.90 CYP3A4 (0.58) CA2CA1CYP3A4TSHRATM
SCHEMBL7218240 0.89 CYP3A4 (0.62) CA2CA1CYP3A4TSHRATM
SCHEMBL7225285 0.89 CYP3A4 (0.66) CA2CA1CYP3A4TSHRATM
SCHEMBL23850959 0.87 CA2 (0.58) CA2CA1CYP3A4TSHRATM
SCHEMBL3807521 0.87 CA2 (0.58) CA2CA1CYP3A4TSHRATM
SCHEMBL2904337 0.87 CA2 (0.58) CA2CA1CYP3A4TSHRATM
SCHEMBL20767415 0.87 CA2 (0.58) CA2CA1CYP3A4TSHRATM
SCHEMBL9933436 0.87 CA2 (0.58) CA2CA1CYP3A4TSHRATM

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109072138-B Detergent composition 狮王株式会社 2020-10-27 CN disclosed
CN-109072138-A detergent composition 狮王株式会社 2018-12-21 CN disclosed
CN-101505832-B Cosmetic compositions containing an ester obtained from 2-ethylbutanol 考格尼斯知识产权管理有限责任公司 2017-02-15 CN disclosed
US-9079850-B2 Cosmetic compositions containing esters of 2-ethylbutanol COGNIS IP MANAGEMENT GMBH (DE) 2015-07-14 US disclosed
CN-101505833-B Cosmetic compositions containing ester obtained from 2-butyl-1-octanol COGNIS IP MAN GMBH 2014-05-21 CN disclosed
US-20100298432-A1 Cosmetic Compositions Containing Esters of 2-Butyloctanol COGNIS IP MANAGEMENT GMBH (DE) 2010-11-25 US disclosed
US-20100292328-A1 Cosmetic Compositions Containing Esters of 2-ethylbutanol COGNIS IP MANAGEMENT GMBH (DE) 2010-11-18 US disclosed
CN-101505833-A Cosmetic compositions containing ester obtained from 2-butyl-1-octanol COGNIS IP MAN GMBH (DE) 2009-08-12 CN disclosed
CN-101505832-A Cosmetic compositions containing an ester obtained from 2-ethylbutanol COGNIS IP MAN GMBH (DE) 2009-08-12 CN disclosed
US-4169702-A Improved optical brightening of polyamides SANDOZ LTD. (CH) 1979-10-02 US disclosed