SCHEMBL9323932

SCHEMBL9323932

CCCCCC(CC(CCCCC)[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CA1 P00915 2/20 0.39
CA2 P00918 1/20 0.36
OPRM1 P35372 1/20 0.36
FDPS P14324 4/20 0.35
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 1/20 0.34
NFKB1 P19838 1/20 0.34
GRIK1 P39086 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
GRIK2 Q13002 1/20 0.33
MAPT P10636 1/20 0.33
FAAH O00519 1/20 0.33
TP53 P04637 1/20 0.33
LAP3 P28838 1/20 0.33

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
SCHEMBL1117299 0.91 ALDH1A1 (0.46) ALDH1A1CA1CA2OPRM1FDPS
SCHEMBL1117316 0.88 ALDH1A1 (0.50) ALDH1A1CA1CA2FDPSGPR84
SCHEMBL1117407 0.88 ALDH1A1 (0.50) ALDH1A1CA1CA2FDPSGPR84
SCHEMBL1117332 0.88 ALDH1A1 (0.50) ALDH1A1CA1CA2FDPSGPR84
SCHEMBL11880100 0.88 ALDH1A1 (0.50) ALDH1A1CA1CA2FDPSGPR84
SCHEMBL1117330 0.88 ALDH1A1 (0.50) ALDH1A1CA1CA2FDPSGPR84
SCHEMBL1117335 0.88 ALDH1A1 (0.50) ALDH1A1CA1CA2FDPSGPR84
SCHEMBL1117328 0.88 ALDH1A1 (0.50) ALDH1A1CA1CA2FDPSGPR84
SCHEMBL1117396 0.88 ALDH1A1 (0.50) ALDH1A1CA1CA2FDPSGPR84
SCHEMBL1117326 0.88 ALDH1A1 (0.50) ALDH1A1CA1CA2FDPSGPR84

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-0359519-B1 A process for producing carbamic acid esters BABCOCK HITACHI KK (JP) 1994-02-02 EP disclosed
US-5101062-A Reacting an amine, oxygen, a nitro compound, carbon monoxide, and alcohol in the presence of a transition metal catalyst, non-metal halide and water BABCOCK-HITACHI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed
EP-0359519-A1 A process for producing carbamic acid esters BABCOCK-HITACHI KABUSHIKI KAISHA (JP) 1990-03-21 EP disclosed