SCHEMBL28087402

SCHEMBL28087402

CCCCCCCCCCCC(N)[N+](C)(C)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
LSS P48449 1/20 0.44
SPHK1 Q9NYA1 2/20 0.43
CYP2D6 P10635 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
LAP3 P28838 2/20 0.41
PLA2G1B P04054 1/20 0.41
PLA2G2A P14555 1/20 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

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
SCHEMBL28859423 0.91 OPRM1 (0.39) OPRM1LSSSPHK1TP53LAP3
Octane SCHEMBL29183972 0.84 LSS (0.46) LSSHTT
Bromide SCHEMBL28119320 0.79 OPRM1 (0.48) OPRM1SPHK1CYP2D6LMNATP53
SCHEMBL230952 0.76 LSS (0.48) OPRM1LSSLMNAHTT
SCHEMBL2961401 0.76 OPRM1 (0.50) OPRM1SPHK1CYP2D6LMNATP53
SCHEMBL31080991 0.76 LSS (0.48) OPRM1LSSLMNAHTT
SCHEMBL1628046 0.76 LSS (0.48) OPRM1LSSLMNAHTT
SCHEMBL4410050 0.76 LSS (0.48) OPRM1LSSLMNAHTT
SCHEMBL2009107 0.76 LSS (0.48) OPRM1LSSLMNAHTT
SCHEMBL10360428 0.76 LSS (0.48) OPRM1LSSLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103958203-B Linerless label printer with label adhesive activation 纽雷贝尔科技公司 2016-08-24 CN disclosed