SCHEMBL2451374

SCHEMBL2451374

CCCCCCCC/C=C\CCCCCCCC(=O)NC(C)[N+](C)(CCO)C(C)NC(=O)CCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
FAAH O00519 2/20 0.53
CNR2 P34972 2/20 0.53
BLM P54132 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ASAH2 Q9NR71 1/20 0.53
KCNK3 O14649 1/20 0.53
THRB P10828 1/20 0.53
DEGS1 O15121 1/20 0.53
CETP P11597 1/20 0.52
TRPV1 Q8NER1 2/20 0.51
CNR1 P21554 2/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
ALOX12 P18054 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL1027031 0.90 LPAR3 (0.46) ALDH1A1FAAHCNR2BLMTDP1
Hydrochloric Acid SCHEMBL3973775 0.80 DEGS1 (0.54) ALDH1A1FAAHCNR2BLMTDP1
Hydrochloric Acid SCHEMBL28045654 0.80 DEGS1 (0.51) ALDH1A1FAAHCNR2BLMTDP1
SCHEMBL1456866 0.78 FAAH (0.79) ALDH1A1FAAHCNR2BLMTDP1
SCHEMBL1456449 0.78 FAAH (0.79) ALDH1A1FAAHCNR2BLMTDP1
SCHEMBL6903752 0.78 FAAH (0.79) ALDH1A1FAAHCNR2BLMTDP1
SCHEMBL8772877 0.78 FAAH (0.66) ALDH1A1FAAHCNR2BLMTDP1
SCHEMBL7620584 0.77 CNR2 (0.83) ALDH1A1CNR2BLMTDP1ASAH2
SCHEMBL7620441 0.77 CNR2 (0.83) ALDH1A1CNR2BLMTDP1ASAH2
SCHEMBL16909345 0.77 CNR2 (0.83) ALDH1A1CNR2BLMTDP1ASAH2

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
EP-1492864-B1 FABRIC SOFTENER COMPOSITION AND METHODS FOR MANUFACTURING AND USING ECOLAB INC (US) 2011-09-14 EP claimed
EP-1439810-A1 ANHYDROUS COSMETIC COMPOSITIONS CONTAINING QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2004-07-28 EP disclosed
WO-2003037280-A1 ANHYDROUS COSMETIC COMPOSITIONS CONTAINING QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2003-05-08 WO disclosed