SCHEMBL3744677

SCHEMBL3744677

CCCCCCCC(=O)OCC(CC)CC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.77
TSHR P16473 1/20 0.77
ATM Q13315 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
LMNA P02545 2/20 0.71
ALDH1A1 P00352 1/20 0.71
MAPT P10636 1/20 0.68
KDM4E B2RXH2 1/20 0.64
DUSP3 P51452 1/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
DGKA P23743 1/20 0.62
PRKCA P17252 3/20 0.60
PRKCE Q02156 1/20 0.60
PRKCQ Q04759 1/20 0.60
PRKCD Q05655 1/20 0.60
LPAR3 Q9UBY5 3/20 0.56
LPAR1 Q92633 2/20 0.56
ENPP2 Q13822 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL27751977 1.00 CYP3A4 (0.77) CYP3A4TSHRATMTDP1LMNA
SCHEMBL3749966 1.00 CYP3A4 (0.77) CYP3A4TSHRATMTDP1LMNA
SCHEMBL3749513 1.00 CYP3A4 (0.77) CYP3A4TSHRATMTDP1LMNA
SCHEMBL3745827 1.00 CYP3A4 (0.77) CYP3A4TSHRATMTDP1LMNA
SCHEMBL3744638 1.00 CYP3A4 (0.77) CYP3A4TSHRATMTDP1LMNA
SCHEMBL3745271 1.00 CYP3A4 (0.77) CYP3A4TSHRATMTDP1LMNA
SCHEMBL3751593 1.00 CYP3A4 (0.77) CYP3A4TSHRATMTDP1LMNA
SCHEMBL8838167 1.00 CYP3A4 (0.77) CYP3A4TSHRATMTDP1LMNA
SCHEMBL8776959 1.00 CYP3A4 (0.77) CYP3A4TSHRATMTDP1LMNA
SCHEMBL27751978 1.00 CYP3A4 (0.77) CYP3A4TSHRATMTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
EP-2051779-B1 COSMETIC COMPOSITIONS CONTAINING AN ESTER OBTAINED FROM 2-ETHYLBUTANOL COGNIS IP MAN GMBH (DE) 2016-05-18 EP disclosed
US-9079850-B2 Cosmetic compositions containing esters of 2-ethylbutanol COGNIS IP MANAGEMENT GMBH (DE) 2015-07-14 US disclosed
US-20100292328-A1 Cosmetic Compositions Containing Esters of 2-ethylbutanol COGNIS IP MANAGEMENT GMBH (DE) 2010-11-18 US disclosed
CN-101505832-A Cosmetic compositions containing an ester obtained from 2-ethylbutanol COGNIS IP MAN GMBH (DE) 2009-08-12 CN disclosed
EP-2051779-A1 COSMETIC COMPOSITIONS CONTAINING ESTERS OF 2-ETHYLBUTANOL Cognis IP Management GmbH (DE) 2009-04-29 EP disclosed
WO-2008019793-A1 COSMETIC COMPOSITIONS CONTAINING ESTERS OF 2-ETHYLBUTANOL COGNIS IP MANAGEMENT GMBH (DE) 2008-02-21 WO disclosed
EP-1889641-A1 Cosmetic compositions containing an ester obtained from 2-ethylbutanol Cognis IP Management GmbH (DE) 2008-02-20 EP disclosed