SCHEMBL9817588

SCHEMBL9817588

CCCCCCCCCC(CC)C(N)CCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.45
OPRM1 P35372 1/20 0.43
CYP2D6 P10635 2/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CETP P11597 1/20 0.42
HTT P42858 1/20 0.42
UBE2N P61088 1/20 0.42
DNM1 Q05193 8/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL10777307 0.91 SPHK1 (0.48) SPHK1OPRM1CYP2D6GMNNLMNA
SCHEMBL20142346 0.88 DNM1 (0.48) SPHK1OPRM1CYP2D6GMNNLMNA
SCHEMBL29173995 0.87 OPRM1 (0.46) SPHK1OPRM1CYP2D6GMNNLMNA
SCHEMBL4950681 0.87 OPRM1 (0.46) SPHK1OPRM1CYP2D6GMNNLMNA
SCHEMBL29286830 0.87 OPRM1 (0.46) SPHK1OPRM1CYP2D6GMNNLMNA
SCHEMBL29286431 0.87 OPRM1 (0.46) SPHK1OPRM1CYP2D6GMNNLMNA
SCHEMBL4954386 0.87 OPRM1 (0.46) SPHK1OPRM1CYP2D6GMNNLMNA
SCHEMBL4946266 0.87 OPRM1 (0.46) SPHK1OPRM1CYP2D6GMNNLMNA
Hydrochloric Acid SCHEMBL28981871 0.85 OPRM1 (0.44) SPHK1OPRM1CYP2D6GMNNLMNA
SCHEMBL11291341 0.85 OPRM1 (0.42) SPHK1OPRM1CYP2D6GMNNLMNA

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-0293192-B1 DIESEL FUEL COMPOSITION EXXON CHEMICAL PATENTS INC. (US) 1991-11-06 EP claimed
EP-2998384-B1 DIESEL FUEL COMPOSITION COMPRISING A QUATERNARY AMMONIUM SALT DETERGENT LUBRIZOL CORP (US) 2018-08-08 EP disclosed
WO-1988009365-A1 DIESEL FUEL COMPOSITION EXXON CHEMICAL PATENTS, INC. (US) 1988-12-01 WO disclosed