SCHEMBL9167792

SCHEMBL9167792

CCCCCCCCCCCCCCCCCCOc1cc(O)cc(N(CC(=O)O)CC(=O)OC)c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.73
BLM P54132 1/20 0.73
CNR2 P34972 15/20 0.47
CNR1 P21554 13/20 0.47

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
SCHEMBL9167296 0.95 PLA2G2A (0.64) PLA2G2ABLMCNR2CNR1
SCHEMBL9171261 0.95 PLA2G2A (0.64) PLA2G2ABLMCNR2CNR1
SCHEMBL9171634 0.93 PLA2G2A (0.85) PLA2G2ABLMCNR2CNR1
SCHEMBL9170636 0.93 PLA2G2A (0.84) PLA2G2ABLMCNR2CNR1
SCHEMBL9168532 0.88 PLA2G2A (0.74) PLA2G2ABLMCNR2CNR1
SCHEMBL9170397 0.87 PLA2G2A (0.71) PLA2G2ABLMCNR2CNR1
SCHEMBL9171087 0.86 PLA2G2A (0.81) PLA2G2ABLMCNR2CNR1
SCHEMBL9169183 0.86 PLA2G2A (0.51) PLA2G2ABLMCNR2CNR1
SCHEMBL9168811 0.85 PLA2G2A (1.00) PLA2G2ABLMCNR2CNR1
SCHEMBL9173041 0.85 PLA2G2A (1.00) PLA2G2ABLMCNR2CNR1

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
US-5446189-A Diester intermediates for diacid enzyme inhibitor HOFFMANN-LA ROCHE INC. (US) 1995-08-29 US disclosed