SCHEMBL27745969

SCHEMBL27745969

CCCCCCCCCCCCCCCCCC(N)OB(O)O

nearest known ligand 0.45

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
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
LAP3 P28838 2/20 0.42
GMNN O75496 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
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
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 2/20 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
SCHEMBL28267215 0.91 SLC1A2 (0.38) SPHK1OPRM1TP53GRIK1GRIK2
SCHEMBL27915610 0.82
SCHEMBL27934081 0.81 GSR (0.39) LMNABLM
SCHEMBL27856287 0.78 LMNA (0.43) SPHK1LMNAMAPT
SCHEMBL31135093 0.77 FAAH (0.43) SPHK1OPRM1LMNA
SCHEMBL4190031 0.75 LMNA (0.40) SPHK1LMNAMAPT
SCHEMBL3694779 0.75 OPRM1 (0.52) SPHK1OPRM1CYP2D6LMNATP53
SCHEMBL27221680 0.75 OPRM1 (0.52) SPHK1OPRM1CYP2D6LMNATP53
SCHEMBL28458489 0.75 OPRM1 (0.52) SPHK1OPRM1CYP2D6LMNATP53
SCHEMBL11301482 0.73 OPRM1 (0.50) SPHK1OPRM1CYP2D6LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101333120-B Detonation inhibitor for ammonium nitrate HAIQUAN YIN 2012-07-04 CN claimed
CN-101333120-A Detonation inhibitor for ammonium nitrate HAIQUAN YIN (CN) 2008-12-31 CN claimed
CN-101333120-B Detonation inhibitor for ammonium nitrate HAIQUAN YIN 2012-07-04 CN disclosed
CN-101333120-A Detonation inhibitor for ammonium nitrate HAIQUAN YIN (CN) 2008-12-31 CN disclosed