SCHEMBL16515965

SCHEMBL16515965

CCCCCCCCCCCCCCCC(=O)C(C)(C(=O)CCCCCCCCCCCCCCC)C(C)(O)NC.CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ RAD52 P43351 1/20 0.46
▸ DNM1 Q05193 6/20 0.44
▸ ENPP2 Q13822 3/20 0.42
▸ FAAH O00519 8/20 0.41
▸ CES1 P23141 5/20 0.41
▸ CES2 O00748 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL874333 0.89 FAAH (0.50) HSP90AA1FAAHCES1CES2MEN1
SCHEMBL1990656 0.89 FAAH (0.50) HSP90AA1FAAHCES1CES2MEN1
SCHEMBL17890011 0.79 DNM1 (0.44) APAF1HSP90AA1RAD52DNM1ENPP2
Cetrimonium SCHEMBL28023183 0.71 APAF1 (0.80) APAF1HSP90AA1RAD52DNM1MEN1
Adipic Acid SCHEMBL8163654 0.70 GPR84 (0.71) DNM1MEN1KMT2AHSD17B10
Stearic Acid SCHEMBL7977101 0.70 GPR84 (0.71) DNM1MEN1KMT2AHSD17B10
Stearic Acid SCHEMBL11570173 0.70 GPR84 (0.71) DNM1MEN1KMT2AHSD17B10
Pivalate SCHEMBL5570536 0.70 DNM1 (0.62) APAF1HSP90AA1RAD52DNM1ENPP2
Pivalate SCHEMBL5574424 0.70 DNM1 (0.62) APAF1HSP90AA1RAD52DNM1ENPP2
Stearic Acid SCHEMBL8158472 0.70 GPR84 (0.71) DNM1MEN1KMT2AHSD17B10

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-3035907-A1 COSMETIC COMPOSITION COMPRISING AMINO SILICONES, CATIONIC SURFACTANTS AND SPECIFIC ESTERS AND A PROCESS FOR A COSMETIC TREATMENT L'Oréal (FR) 2016-06-29 — — EP disclosed
WO-2015024079-A1 COSMETIC COMPOSITION COMPRISING AMINO SILICONES, CATIONIC SURFACTANTS AND SPECIFIC ESTERS AND A PROCESS FOR A COSMETIC TREATMENT L'OREAL (FR) 2015-02-26 — — WO disclosed
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