SCHEMBL11051697

SCHEMBL11051697

CCCCCCCCCCCCCCCCCC(N)C(N)(CCCCCCCCCCCCCCCCC)CC(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.43
CYP2D6 P10635 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
GMNN O75496 1/20 0.41
POLB P06746 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CETP P11597 1/20 0.41
HTT P42858 1/20 0.41
UBE2N P61088 1/20 0.41
SMPD1 P17405 2/20 0.37
FDPS P14324 2/20 0.37
LAP3 P28838 1/20 0.37
OPRM1 P35372 1/20 0.36

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
SCHEMBL23407456 0.85 OPRM1 (0.44) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL19032541 0.85 OPRM1 (0.44) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL19032634 0.85 OPRM1 (0.44) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL28247753 0.85 OPRM1 (0.44) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL15234071 0.85 OPRM1 (0.44) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL6139849 0.82 OPRM1 (0.41) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL7611818 0.79 DNM1 (0.48) SPHK1SMPD1FDPSOPRM1
SCHEMBL10487492 0.76 FAAH (0.41) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL23407470 0.76 FAAH (0.41) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL8938790 0.75 OPRM1 (0.46) SPHK1CYP2D6LMNATP53GMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4472375-A VOLATILE AGENT, NONIONIC POLYMERIC THICKENER, QUATERNARY AMMONIUM SALT, FATTY AMINE SALT THE PROCTER & GAMBLE COMPANY (US) 1984-09-18 US disclosed
EP-0035901-B1 HAIR CONDITIONING COMPOSITION AND METHOD OF CONDITIONING HAIR THEREWITH THE PROCTER & GAMBLE COMPANY (US) 1984-05-30 EP disclosed
EP-0035899-B1 HAIR CONDITIONING COMPOSITION AND METHOD OF CONDITIONING HAIR THEREWITH THE PROCTER & GAMBLE COMPANY (US) 1984-05-30 EP disclosed
US-4387090-A HYDROCARBONS, SILICONES AND HYDROPHOBIC THICKENER THE PROCTER & GAMBLE COMPANY (US) 1983-06-07 US disclosed
US-4374825-A HYDROCARBON AND/OR SILICONE, NONIONIC POLYMER, QUATERNARY AMMONIUM OR FATTY AMINE SALT THE PROCTOR & GAMBLE COMPANY (US) 1983-02-22 US disclosed
EP-0035901-A2 Hair conditioning composition and method of conditioning hair therewith THE PROCTER & GAMBLE COMPANY (US) 1981-09-16 EP disclosed
EP-0035899-A2 Hair conditioning composition and method of conditioning hair therewith THE PROCTER & GAMBLE COMPANY (US) 1981-09-16 EP disclosed
US-4206196-A Hair conditioning article and a method of its use THE PROCTER & GAMBLE COMPANY (US) 1980-06-03 US disclosed
US-4206195-A ALUMINUM COMPOUND, ZIRCONIUM COMPOUND, AND A MANGANESE COMPOUND PLUS A POTASSIUM, SODIUM, AMMONIUM, OR MAGNESIUM COMPOUND THE PROCTER & GAMBLE COMPANY (US) 1980-06-03 US disclosed