SCHEMBL5459837

SCHEMBL5459837

CCCCC(CN)(CCCC)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 9/20 0.47
SMPD1 P17405 5/20 0.45
GGPS1 O95749 4/20 0.35
LPAR3 Q9UBY5 3/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR2 Q9HBW0 2/20 0.35
GABBR2 O75899 1/20 0.35
GABRR1 P24046 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35

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
SCHEMBL5457780 0.87 SMPD1 (0.53) FDPSSMPD1GGPS1LPAR3LPAR1
SCHEMBL27930005 0.82 SMPD1 (0.61) FDPSSMPD1GGPS1LPAR3LPAR1
SCHEMBL28359570 0.81 LPAR3 (0.50) FDPSSMPD1GGPS1LPAR3LPAR1
SCHEMBL28359556 0.81 LPAR3 (0.50) FDPSSMPD1GGPS1LPAR3LPAR1
SCHEMBL7165754 0.81 SMPD1 (0.41) FDPSSMPD1GGPS1LPAR3LPAR1
SCHEMBL27742189 0.81 SMPD1 (0.64) FDPSSMPD1GGPS1LPAR3LPAR1
SCHEMBL27980618 0.81 SMPD1 (0.64) FDPSSMPD1GGPS1LPAR3LPAR1
SCHEMBL4419907 0.79 SMPD1 (0.44) FDPSSMPD1GGPS1LPAR3LPAR1
SCHEMBL5459582 0.77 FDPS (0.35) FDPSSMPD1
SCHEMBL28359487 0.75 CYP3A4 (0.51) FDPSSMPD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070210476-A1 Machinable Resin Molded Product, Material For Forming The Same, And Model Made Of The Same SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2007-09-13 US disclosed
EP-1728832-A1 MOLDING OF RESIN FOR CUTTING OPERATION, MATERIAL FOR FORMATION THEREOF AND MODEL Sanyo Chemical Industries, Ltd. (JP) 2006-12-06 EP disclosed