SCHEMBL1410076

SCHEMBL1410076

CCOC(=O)[C@@H](CCC(C)C)C[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 5/20 0.49
CPB2 Q96IY4 1/20 0.36
MAPT P10636 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 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
SCHEMBL18764229 1.00 CPA1 (0.49) CPA1CPB2MAPTCRHBPCRHR2
SCHEMBL10258917 0.82 CPB2 (0.43) CPB2L3MBTL1MEN1NPC1KMT2A
SCHEMBL4253442 0.78 CPA1 (0.51) CPA1
SCHEMBL19838298 0.76 CPA1 (0.42) CPA1CPB2MAPTCRHBPCRHR2
SCHEMBL19861018 0.76 CPB2 (0.46) CPB2MEN1NPC1KMT2ASLC1A3
SCHEMBL19853046 0.75 CPA1 (0.41) CPA1CPB2MAPTCRHBPCRHR2
SCHEMBL19853042 0.75 CPA1 (0.43) CPA1CPB2MAPTCRHBPCRHR2
SCHEMBL8582165 0.75 CPA1 (0.42) CPA1MAPTCRHBPCRHR2L3MBTL1
SCHEMBL22335275 0.74 CPA1 (0.43) CPA1MAPTCRHBPCRHR2L3MBTL1
SCHEMBL2457733 0.74 MGAM (0.41) CPB2L3MBTL1MEN1NPC1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2294207-A2 PROCESS FOR THE STEREOSELECTIVE ENZYMATIC HYDROLYSIS OF 5-METHYL-3-NITROMETHYL-HEXANOIC ACID ESTER Sandoz AG (CH) 2011-03-16 EP disclosed
WO-2009141362-A2 PROCESS FOR THE STEREOSELECTIVE ENZYMATIC HYDROLYSIS OF 5-METHYL-3-NITROMETHYL-HEXANOIC ACID ESTER SANDOZ AG (CH) 2009-11-26 WO disclosed