SCHEMBL3972494

SCHEMBL3972494

CCC(CC)CC(C)CCCCCCCCCCCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
BLM P54132 1/20 0.34
ACE2 Q9BYF1 1/20 0.32
PTPN1 P18031 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3964951 1.00 LMNA (0.52) LMNABLMACE2PTPN1MEN1
SCHEMBL28677838 0.93 LMNA (0.55) LMNABLMPTPN1MEN1CYP3A4
SCHEMBL3970748 0.86 ACE2 (0.45) LMNAACE2CYP3A4ALDH1A1TDP1
SCHEMBL27772898 0.86 ACE2 (0.45) LMNAACE2CYP3A4ALDH1A1TDP1
SCHEMBL4269056 0.86 ACE2 (0.45) LMNAACE2CYP3A4ALDH1A1TDP1
SCHEMBL4276868 0.86 ACE2 (0.45) LMNAACE2CYP3A4ALDH1A1TDP1
SCHEMBL4269508 0.86 ACE2 (0.45) LMNAACE2CYP3A4ALDH1A1TDP1
SCHEMBL13279838 0.84 LMNA (0.52) LMNABLMACE2PTPN1MEN1
SCHEMBL13280651 0.84 LMNA (0.52) LMNABLMACE2PTPN1MEN1
SCHEMBL13280724 0.84 LMNA (0.52) LMNABLMACE2PTPN1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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