SCHEMBL6139849

SCHEMBL6139849

CCCCCCCCCCCCCCCCCC(N)(CC)C(N)CCCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
SPHK1 Q9NYA1 2/20 0.39
SMPD1 P17405 3/20 0.37
CYP2D6 P10635 2/20 0.37
LMNA P02545 2/20 0.37
FDPS P14324 2/20 0.37
TP53 P04637 2/20 0.37
LAP3 P28838 2/20 0.37
PLA2G1B P04054 1/20 0.37
PLA2G2A P14555 1/20 0.37
GMNN O75496 1/20 0.37
POLB P06746 1/20 0.37
THPO P40225 1/20 0.37
MTOR P42345 1/20 0.37
BLM P54132 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CETP P11597 1/20 0.37

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
SCHEMBL19032541 0.92 OPRM1 (0.44) OPRM1SPHK1SMPD1CYP2D6LMNA
SCHEMBL19032634 0.92 OPRM1 (0.44) OPRM1SPHK1SMPD1CYP2D6LMNA
SCHEMBL23407456 0.92 OPRM1 (0.44) OPRM1SPHK1SMPD1CYP2D6LMNA
SCHEMBL28247753 0.92 OPRM1 (0.44) OPRM1SPHK1SMPD1CYP2D6LMNA
SCHEMBL15234071 0.92 OPRM1 (0.44) OPRM1SPHK1SMPD1CYP2D6LMNA
SCHEMBL8938790 0.90 OPRM1 (0.46) OPRM1SPHK1CYP2D6LMNATP53
SCHEMBL11222814 0.86 SMPD1 (0.38) OPRM1SPHK1SMPD1FDPS
SCHEMBL7611818 0.85 DNM1 (0.48) OPRM1SPHK1SMPD1FDPS
SCHEMBL28290833 0.83 FDPS (0.36) OPRM1SMPD1FDPS
SCHEMBL10487492 0.82 FAAH (0.41) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501468-A1 RINSABLE SKIN CONDITIONING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2005-02-02 EP disclosed
WO-2003094866-A1 RINSABLE SKIN CONDITIONING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2003-11-20 WO disclosed
WO-2003094867-A1 RINSABLE SKIN CONDITIONING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2003-11-20 WO disclosed