SCHEMBL11923482

SCHEMBL11923482

O=C(O[C@@H]1COC2[C@H](O)CO[C@@H]21)N1CCC(ON(O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.41
MAPT P10636 1/20 0.38
PRKAA1 Q13131 4/20 0.36
PRSS1 P07477 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
KLK7 P49862 1/20 0.31
KLK5 Q9Y337 1/20 0.31

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
SCHEMBL11923074 1.00 BCHE (0.41) BCHEMAPTPRKAA1PRSS1TPSG1
SCHEMBL13574486 0.82 BCHE (0.39) BCHEPRSS1TPSG1
SCHEMBL637595 0.81 MAPT (0.59) BCHEMAPTPRKAA1PRSS1TPSG1
SCHEMBL637594 0.81 MAPT (0.59) BCHEMAPTPRKAA1PRSS1TPSG1
SCHEMBL12829089 0.80 BCHE (0.39) BCHEPRSS1TPSG1
SCHEMBL10195654 0.74 CYP1A2 (0.45) BCHE
SCHEMBL12846700 0.72 THRB (0.54) BCHEMAPTTHRBLMNA
SCHEMBL11888123 0.72 THRB (0.54) BCHEMAPTTHRBLMNA
SCHEMBL12872554 0.72 THRB (0.54) BCHEMAPTTHRBLMNA
SCHEMBL15890444 0.69 MAPT (0.55) BCHEMAPTTHRBLMNA

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-2238143-B1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2012-08-15 EP disclosed