SCHEMBL9425809

SCHEMBL9425809

CCCCCCC(=O)NCCOCCOC(=O)CCCCCC

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.64
EPHX2 P34913 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
FAAH O00519 4/20 0.53
DNM1 Q05193 3/20 0.50
LPAR1 Q92633 2/20 0.49
LPAR2 Q9HBW0 2/20 0.49
ENPP2 Q13822 1/20 0.49
CASP2 P42575 1/20 0.49
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
GLP1R P43220 3/20 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
SCHEMBL8920199 0.91 DGKA (0.67) DGKAL3MBTL1FAAHDNM1LPAR1
SCHEMBL20856388 0.91 DGKA (0.67) DGKAL3MBTL1FAAHDNM1LPAR1
SCHEMBL8921681 0.91 DGKA (0.67) DGKAL3MBTL1FAAHDNM1LPAR1
SCHEMBL8921826 0.91 DGKA (0.67) DGKAL3MBTL1FAAHDNM1LPAR1
SCHEMBL8920345 0.91 DGKA (0.67) DGKAL3MBTL1FAAHDNM1LPAR1
SCHEMBL8922042 0.91 DGKA (0.67) DGKAL3MBTL1FAAHDNM1LPAR1
SCHEMBL303966 0.91 DGKA (0.67) DGKAL3MBTL1FAAHDNM1LPAR1
SCHEMBL7650140 0.91 FAAH (0.62) EPHX2FAAHDNM1LPAR1LPAR2
SCHEMBL7647954 0.91 FAAH (0.62) EPHX2FAAHDNM1LPAR1LPAR2
SCHEMBL13811075 0.91 FAAH (0.62) EPHX2FAAHDNM1LPAR1LPAR2

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-5358946-A Heterocycle-substituted amides, carbamates and ureas as agents for the treatment of atherosclerosis THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-25 US disclosed