SCHEMBL13743294

SCHEMBL13743294

CCCCCCCC[C@@H]1C[C@@H]1CCCCCCCC(=O)OCCCN(C)C

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.64
DGKA P23743 1/20 0.53
ALOX5 P09917 1/20 0.50
EPHX2 P34913 4/20 0.45
NAAA Q02083 1/20 0.45
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
PAM P19021 2/20 0.42
HTR2C P28335 1/20 0.41
HPSE Q9Y251 1/20 0.41
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6519525 1.00 DNM1 (0.64) DNM1DGKAALOX5EPHX2NAAA
SCHEMBL13743296 0.96 DNM1 (0.59) DNM1DGKAALOX5EPHX2NAAA
SCHEMBL12794339 0.96 DNM1 (0.59) DNM1DGKAALOX5EPHX2NAAA
SCHEMBL12794345 0.88 DNM1 (0.49) DNM1DGKAALOX5EPHX2PRSS1
SCHEMBL12847940 0.88 DNM1 (0.50) DNM1DGKAALOX5EPHX2NAAA
SCHEMBL4322849 0.87 DNM1 (0.83) DNM1DGKANAAAPRSS1PRSS2
SCHEMBL13923753 0.87 DNM1 (0.83) DNM1DGKANAAAPRSS1PRSS2
SCHEMBL4325848 0.87 DNM1 (0.83) DNM1DGKANAAAPRSS1PRSS2
SCHEMBL8397714 0.87 DNM1 (0.83) DNM1DGKANAAAPRSS1PRSS2
SCHEMBL10622058 0.87 DNM1 (0.83) DNM1DGKANAAAPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009101321-A2 CATIONIC SURFACTANT COMPOUNDS, USE THEREOF AS CONDITIONER, COSMETIC TREATMENT METHOD, AND COSMETIC OR PHARMACEUTICAL COMPOSITIONS COMPRISING SAME L'OREAL (FR) 2009-08-20 WO disclosed