SCHEMBL10637553

SCHEMBL10637553

CCOC1CCCCCCCCC(O[N+](=O)[O-])CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSR P00390 5/20 0.42
EPHX1 P07099 1/20 0.33
NPC1 O15118 1/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
NAAA Q02083 1/20 0.31
BCHE P06276 1/20 0.31
HTT P42858 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
Ammonia Solution, Strong SCHEMBL10427644 0.84 GSR (0.54) GSREPHX1NPC1BCHE
SCHEMBL323260 0.84 GSR (0.54) GSREPHX1NPC1BCHE
SCHEMBL11061616 0.84 GSR (0.54) GSREPHX1NPC1BCHE
SCHEMBL1774751 0.84 GSR (0.54) GSREPHX1NPC1BCHE
SCHEMBL7763205 0.84 GSR (0.54) GSREPHX1NPC1BCHE
SCHEMBL3804843 0.84 GSR (0.54) GSREPHX1NPC1BCHE
SCHEMBL10634727 0.82 GSR (0.40) GSREPHX1NPBWR1MCHR1
SCHEMBL324551 0.82
Ammonia Solution, Strong SCHEMBL8076640 0.82 NPC1 (0.43) EPHX1NPC1NAAAHTT
Ammonia Solution, Strong SCHEMBL8076859 0.82 NPC1 (0.43) EPHX1NPC1NAAAHTT

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-0101093-B1 DIESEL FUEL COMPOSITION ETHYL CORPORATION (US) 1988-01-07 EP disclosed
EP-0101093-A2 Diesel fuel composition ETHYL CORPORATION (US) 1984-02-22 EP disclosed
US-4420311-A CYCLODODECYL NITRATE AND DERIVATIVES, ANTIKNOCK AGENT ETHYL CORPORATION (US) 1983-12-13 US disclosed