SCHEMBL14535008

SCHEMBL14535008

COC(=O)CC(CC1CCCCC1)C[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.35
CTSL P07711 3/20 0.34
CTSB P07858 3/20 0.34
EPHX2 P34913 2/20 0.34
CTSH P09668 2/20 0.33
LTA4H P09960 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GLA P06280 1/20 0.32

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
SCHEMBL4302074 0.79 CPA1 (0.37) L3MBTL1
SCHEMBL5492736 0.78 CYP2D6 (0.35)
SCHEMBL7686445 0.77 EPHX2 (0.39) EPHX2GLA
SCHEMBL13610018 0.73 CTSK (0.44) CTSKCTSLCTSBEPHX2CTSH
SCHEMBL14111950 0.73 CTSK (0.41) CTSKCTSLCTSBEPHX2CTSH
SCHEMBL5497112 0.73 ANPEP (0.34)
SCHEMBL17748406 0.72 CPA1 (0.47) L3MBTL1
SCHEMBL4321183 0.72 CPA1 (0.33) L3MBTL1
SCHEMBL14392297 0.72 LTA4H (0.38) CTSKCTSLCTSBEPHX2CTSH
SCHEMBL232250 0.69 CYP2D6 (0.46) CTSKCTSLCTSBL3MBTL1

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-0937032-B1 SUBSTITUTED GAMMA AMINOBUTYRIC ACIDS AS PHARMACEUTICAL AGENTS WARNER LAMBERT CO (US) 2007-05-09 EP disclosed