SCHEMBL28859423

SCHEMBL28859423

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
LSS P48449 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
DNM1 Q05193 2/20 0.35
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
CA2 P00918 2/20 0.32
SPHK1 Q9NYA1 2/20 0.32
CA1 P00915 1/20 0.32
DPP7 Q9UHL4 1/20 0.31
SLC15A1 P46059 1/20 0.31
TP53 P04637 1/20 0.31
LAP3 P28838 1/20 0.31
PLA2G1B P04054 1/20 0.30
PLA2G2A P14555 1/20 0.30

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
SCHEMBL28087402 0.91 OPRM1 (0.46) OPRM1LSSSPHK1TP53LAP3
Octane SCHEMBL29183972 0.78 LSS (0.46) LSSALDH1A1DNM1
SCHEMBL87522 0.73
SCHEMBL2961401 0.70 OPRM1 (0.50) OPRM1SLC1A2SLC1A1SPHK1TP53
SCHEMBL8037236 0.69 HTT (0.44) LSSALDH1A1TDP1DNM1
SCHEMBL10407594 0.68 LSS (0.46) OPRM1LSSDNM1CA2
Bromide SCHEMBL28119320 0.68 OPRM1 (0.48) OPRM1ALDH1A1DNM1SPHK1TP53
SCHEMBL24017046 0.66 OPRM1 (0.50) OPRM1ALDH1A1TDP1DNM1SLC1A3
SCHEMBL11095129 0.66 OPRM1 (0.50) OPRM1ALDH1A1TDP1DNM1SLC1A3
SCHEMBL272998 0.66 OPRM1 (0.50) OPRM1ALDH1A1TDP1DNM1CA2

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-104661645-B Copolymer with carbon siloxanes dendritic structure and include its composition and cosmetics 道康宁东丽株式会社 2018-05-15 CN disclosed