SCHEMBL5595466

SCHEMBL5595466

CCCCCCC(C)CCCCCC(CCC)CCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
ACE2 Q9BYF1 1/20 0.50
DNM1 Q05193 2/20 0.44
OPRM1 P35372 1/20 0.42
SPHK1 Q9NYA1 1/20 0.40
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCI P41743 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCZ Q05513 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKD1 Q15139 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

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
SCHEMBL5594761 0.98 ACE2 (0.48) LMNAACE2DNM1OPRM1SPHK1
SCHEMBL28567383 0.95 LMNA (0.50) LMNAACE2DNM1OPRM1SPHK1
SCHEMBL25946548 0.93 LMNA (0.56) LMNAACE2DNM1OPRM1SPHK1
SCHEMBL26960649 0.93 LMNA (0.56) LMNAACE2DNM1OPRM1SPHK1
SCHEMBL28601763 0.91 ACE2 (0.55) LMNAACE2DNM1OPRM1SPHK1
SCHEMBL10582089 0.90 LMNA (0.59) LMNADNM1OPRM1ALDH1A1TDP1
SCHEMBL5488763 0.90 LMNA (0.59) LMNADNM1OPRM1ALDH1A1TDP1
SCHEMBL11821234 0.90 LMNA (0.59) LMNADNM1OPRM1ALDH1A1TDP1
SCHEMBL2991307 0.90 LMNA (0.59) LMNADNM1OPRM1ALDH1A1TDP1
SCHEMBL1944724 0.90 LMNA (0.59) LMNADNM1OPRM1ALDH1A1TDP1

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-1858480-A1 COSMETIC COMPOSITIONS CONTAINING ESTERS BASED ON 2-PROPYLHEPTANOL Cognis IP Management GmbH (DE) 2007-11-28 EP disclosed
WO-2006097235-A1 COSMETIC COMPOSITIONS CONTAINING ESTERS BASED ON 2-PROPYLHEPTANOL COGNIS IP MANAGEMENT GMBH (DE) 2006-09-21 WO disclosed