SCHEMBL2586062

SCHEMBL2586062

CCCCCCCCCCCCCCCCCCC(C(=O)[O-])(C(CCO)(CCO)C(=O)O)[N+](C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.36
CES2 O00748 4/20 0.33
CES1 P23141 3/20 0.32
GGPS1 O95749 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL515391 1.00 DNM1 (0.36) DNM1CES2CES1GGPS1ALDH1A1
SCHEMBL663117 0.93 LMNA (0.38) DNM1CES2ALDH1A1TSHR
SCHEMBL6756058 0.81 CES2 (0.34) CES2GPR84
SCHEMBL98889 0.81 CES2 (0.34) CES2GPR84
SCHEMBL4902282 0.80 CES2 (0.34) CES2CES1GGPS1ALDH1A1TSHR
SCHEMBL4611396 0.80 CES2 (0.36) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL4609450 0.80 CES2 (0.36) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL98645 0.77 GPR84 (0.33) CES2GPR84
SCHEMBL332249 0.76 FDPS (0.39) CES2CES1GGPS1
SCHEMBL14801394 0.76 FDPS (0.39) CES2CES1GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110266307-A1 Foamable Industrial Strength Hand Cleanser KIMBERLY-CLARK WORLDWIDE, INC. (US) 2011-11-03 US disclosed
US-20050137102-A1 Foamable industrial strength hand cleanser KIMBERLY-CKARK WORLDWIDE, INC. 2005-06-23 US disclosed
US-5976520-A AMPHOTERIC SURFACTANT, A CELLULOSIC ETHER AND A FATTY ESTER OF POLYETHYLENE GLYCOL. USE AS SHAVING FOAM. S. C. JOHNSON & SON, INC. (US) 1999-11-02 US disclosed