SCHEMBL3966010

SCHEMBL3966010

CCCCCCCCCCCC(C)CC(CCCC)CCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ACE2 Q9BYF1 1/20 0.45
DNM1 Q05193 2/20 0.44
OPRM1 P35372 1/20 0.42
SPHK1 Q9NYA1 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
CA2 P00918 1/20 0.38
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36

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
SCHEMBL4269432 1.00 LMNA (0.50) LMNAACE2DNM1OPRM1SPHK1
SCHEMBL4278593 1.00 LMNA (0.50) LMNAACE2DNM1OPRM1SPHK1
SCHEMBL4269430 1.00 LMNA (0.50) LMNAACE2DNM1OPRM1SPHK1
SCHEMBL4277055 1.00 LMNA (0.50) LMNAACE2DNM1OPRM1SPHK1
SCHEMBL4270240 1.00 LMNA (0.50) LMNAACE2DNM1OPRM1SPHK1
SCHEMBL4272645 1.00 LMNA (0.50) LMNAACE2DNM1OPRM1SPHK1
SCHEMBL4268427 1.00 LMNA (0.50) LMNAACE2DNM1OPRM1SPHK1
SCHEMBL4271453 1.00 LMNA (0.50) LMNAACE2DNM1OPRM1SPHK1
SCHEMBL4273089 1.00 LMNA (0.50) LMNAACE2DNM1OPRM1SPHK1
SCHEMBL4271834 1.00 LMNA (0.50) LMNAACE2DNM1OPRM1SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101505833-B Cosmetic compositions containing ester obtained from 2-butyl-1-octanol COGNIS IP MAN GMBH 2014-05-21 CN disclosed
CN-101505833-A Cosmetic compositions containing ester obtained from 2-butyl-1-octanol COGNIS IP MAN GMBH (DE) 2009-08-12 CN disclosed
EP-2051781-A1 COSMETIC COMPOSITIONS CONTAINING ESTERS OF 2-BUTYLOCTANOL Cognis IP Management GmbH (DE) 2009-04-29 EP disclosed
WO-2008019794-A1 COSMETIC COMPOSITIONS CONTAINING ESTERS OF 2-BUTYLOCTANOL COGNIS IP MANAGEMENT GMBH (DE) 2008-02-21 WO disclosed