SCHEMBL9019616

SCHEMBL9019616

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 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
SCHEMBL9127050 1.00 ALDH1A1 (0.37) ALDH1A1CRHBPCRHR2MAPTKDM4E
SCHEMBL9127158 0.89 ALDH1A1 (0.30) ALDH1A1
SCHEMBL9019538 0.89 ALDH1A1 (0.30) ALDH1A1
SCHEMBL9130201 0.84 MAPT (0.39) ALDH1A1CRHBPCRHR2MAPTKDM4E
SCHEMBL9019554 0.84 MAPT (0.39) ALDH1A1CRHBPCRHR2MAPTKDM4E
SCHEMBL9130221 0.83 L3MBTL1 (0.44) ALDH1A1CRHBPCRHR2L3MBTL1LMNA
SCHEMBL9131101 0.78 LMNA (0.33) KMT2AL3MBTL1LMNA
SCHEMBL9019607 0.78 LMNA (0.33) KMT2AL3MBTL1LMNA
SCHEMBL9127493 0.76 MAPT (0.36) ALDH1A1MAPTRAB9AL3MBTL1LMNA
SCHEMBL9019595 0.75 LMNA (0.36) KMT2ALMNA

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