SCHEMBL9831391

SCHEMBL9831391

C[C@@]12CCC[C@H]1[C@@H]1CCC3CCCC[C@@H]3[C@@]1(O)C(O[N+](=O)[O-])C2

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.31
HSD11B1 P28845 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
SCHEMBL9831397 1.00 GSR (0.31) GSRHSD11B1
SCHEMBL2010814 0.59 GSR (0.39) GSRHSD11B1
SCHEMBL10248853 0.58 ALDH1A1 (0.48) HSD11B1
SCHEMBL16766681 0.58 ALDH1A1 (0.48) HSD11B1
SCHEMBL16765705 0.57 ALDH1A1 (0.47) HSD11B1
Nitric Acid SCHEMBL9874361 0.56 GSR (0.35) GSR
SCHEMBL27651835 0.56 HSD11B1 (0.36) HSD11B1
SCHEMBL15268371 0.55 ALDH1A1 (0.35)
SCHEMBL2012747 0.55 FFAR3 (0.35) GSR
SCHEMBL11679414 0.54 NR1I3 (0.37)

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
EP-0227813-B1 11-BETA-NITRATE-SUBSTITUTED ESTRANES SRI INTERNATIONAL (US) 1991-10-02 EP disclosed