SCHEMBL5457780

SCHEMBL5457780

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.53
FDPS P14324 8/20 0.52
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
LPAR3 Q9UBY5 3/20 0.38
GGPS1 O95749 3/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 2/20 0.38
GABBR2 O75899 1/20 0.38
GABRR1 P24046 1/20 0.38
GABBR1 Q9UBS5 1/20 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
SCHEMBL27930005 0.94 SMPD1 (0.61) SMPD1FDPSS1PR2S1PR4S1PR1
SCHEMBL27980618 0.93 SMPD1 (0.64) SMPD1FDPSLPAR3GGPS1LPAR1
SCHEMBL27742189 0.93 SMPD1 (0.64) SMPD1FDPSLPAR3GGPS1LPAR1
SCHEMBL28653187 0.88 SMPD1 (0.57) SMPD1FDPSLPAR3GGPS1LPAR1
SCHEMBL5459837 0.87 FDPS (0.47) SMPD1FDPSLPAR3GGPS1LPAR1
SCHEMBL25174013 0.84 SMPD1 (0.53) SMPD1FDPSLPAR3GGPS1LPAR1
SCHEMBL5908894 0.84 SMPD1 (0.53) SMPD1FDPSLPAR3GGPS1LPAR1
SCHEMBL1761280 0.84 SMPD1 (0.63) SMPD1FDPSLPAR3GGPS1LPAR1
SCHEMBL5908931 0.84 SMPD1 (0.53) SMPD1FDPSLPAR3GGPS1LPAR1
Ammonia Solution, Strong SCHEMBL27927904 0.84 SMPD1 (0.53) SMPD1FDPSLPAR3GGPS1LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110791964-B Treating agent for elastic fiber and elastic fiber 竹本油脂株式会社 2020-10-23 CN disclosed
CN-110791964-A Treating agent for elastic fiber and elastic fiber 竹本油脂株式会社 2020-02-14 CN disclosed
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