SCHEMBL4087826

SCHEMBL4087826

CCCCCCCCCCCCCCCC(CCCC)(OP=O)C(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.36
GGPS1 O95749 6/20 0.32
FDPS P14324 9/20 0.32
CES2 O00748 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31

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
SCHEMBL9757466 0.72 SMPD1 (0.42) SMPD1GGPS1FDPSCES2LPAR1
SCHEMBL16208461 0.71 SMPD1 (0.41) SMPD1GGPS1FDPSCES2LPAR1
SCHEMBL1863462 0.69
SCHEMBL28872324 0.67 FDPS (0.38) SMPD1FDPS
SCHEMBL2499162 0.67 FDPS (0.38) SMPD1FDPS
SCHEMBL9659802 0.66 FDPS (0.45) SMPD1GGPS1FDPSLPAR1LPAR3
SCHEMBL4271952 0.66 FDPS (0.37) SMPD1FDPS
SCHEMBL702933 0.64 FDPS (0.32) FDPS
SCHEMBL2341062 0.64 FDPS (0.43) SMPD1GGPS1FDPSCES2LPAR1
SCHEMBL2350138 0.64 FDPS (0.43) GGPS1FDPS

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-1840194-B1 Gear fluids AFTON CHEMICAL CORP (US) 2009-05-13 EP claimed