SCHEMBL13339192

SCHEMBL13339192

COC(=O)[C@H]1CC[C@H](O[N+](=O)[O-])CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
TP53 P04637 1/20 0.40
GSR P00390 4/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL2011707 1.00 MAPT (0.43) MAPTTP53GSRGAATDP1
SCHEMBL2012775 0.82 MAPT (0.48) MAPTTP53GAA
SCHEMBL638385 0.81 CHRNB2 (0.43) MAPTTP53GSRTDP1CHRNB2
SCHEMBL637878 0.81 CHRNB2 (0.43) MAPTTP53GSRTDP1CHRNB2
SCHEMBL9238948 0.81 GSR (0.35) MAPTGSR
SCHEMBL2012744 0.80 SMN1; SMN2 (0.37) MAPTTP53GSRTDP1SMN1; SMN2
SCHEMBL23927596 0.79 GSR (0.42) MAPTGSRTDP1POLB
SCHEMBL2012678 0.79 GSR (0.42) MAPTGSRTDP1POLB
SCHEMBL17674083 0.77 MAPT (0.45) MAPTTP53GAATDP1SMN1; SMN2
SCHEMBL8957333 0.77 GSR (0.50) MAPTGSR

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
WO-2010062415-A1 NITROOXY CYCLOALKANE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-06-03 WO disclosed