SCHEMBL4149908

SCHEMBL4149908

CCCCCC(O)(F)CC

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.45
LPAR1 Q92633 1/20 0.45
LPAR3 Q9UBY5 1/20 0.45
FDPS P14324 9/20 0.43
GGPS1 O95749 6/20 0.43
FAAH O00519 4/20 0.39
CES1 P23141 2/20 0.38

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
SCHEMBL13938563 0.92
SCHEMBL29024866 0.86 CES2 (0.52) CES2LPAR1LPAR3FDPSGGPS1
SCHEMBL8862851 0.86 CES2 (0.52) CES2LPAR1LPAR3FDPSGGPS1
SCHEMBL2858844 0.86 CES2 (0.52) CES2LPAR1LPAR3FDPSGGPS1
SCHEMBL28570933 0.86 CES2 (0.52) CES2LPAR1LPAR3FDPSGGPS1
SCHEMBL31438758 0.86 CES2 (0.52) CES2LPAR1LPAR3FDPSGGPS1
SCHEMBL9064349 0.86 CES2 (0.52) CES2LPAR1LPAR3FDPSGGPS1
SCHEMBL9444915 0.86 CES2 (0.52) CES2LPAR1LPAR3FDPSGGPS1
SCHEMBL23824942 0.79 CES2 (0.50) CES2LPAR1LPAR3FDPSGGPS1
SCHEMBL23825170 0.79 CES2 (0.45) CES2LPAR1LPAR3FDPSGGPS1

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
WO-2009079763-A1 FLUORINATED ARYL AMIDE COMPOUNDS CASCADE THERAPEUTICS INC. (CA) 2009-07-02 WO disclosed