SCHEMBL9019595

SCHEMBL9019595

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
SMYD3 Q9H7B4 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
BCHE P06276 1/20 0.32
KMT2A Q03164 1/20 0.32
CASP6 P55212 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
SCHEMBL9128912 1.00 LMNA (0.36) LMNABLMSMYD3NOS3NOS1
SCHEMBL9127537 0.90 LMNA (0.39) LMNABLMNOS3NOS1
SCHEMBL9131101 0.84 LMNA (0.33) LMNABCHEKMT2A
SCHEMBL9019607 0.84 LMNA (0.33) LMNABCHEKMT2A
SCHEMBL9795289 0.83 SMYD3 (0.39) LMNABLMSMYD3BCHEKMT2A
SCHEMBL9499642 0.83 SMYD3 (0.39) LMNABLMSMYD3BCHEKMT2A
SCHEMBL9497748 0.83 SMYD3 (0.39) LMNABLMSMYD3BCHEKMT2A
SCHEMBL9127645 0.79 MAPT (0.38) LMNABCHE
SCHEMBL9019559 0.79 BCHE (0.35) LMNASMYD3BCHEKMT2ACASP6
SCHEMBL9127243 0.79 BCHE (0.35) LMNASMYD3BCHEKMT2ACASP6

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-0515420-B1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1996-06-12 EP disclosed
EP-0515420-A1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES. BOEHRINGER MANNHEIM GMBH (DE) 1992-12-02 EP disclosed
WO-1991012230-A1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1991-08-22 WO disclosed