SCHEMBL5963564

SCHEMBL5963564

CCCCC(OP(=O)(O)O)C(C)OP(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.53
SMPD1 P17405 3/20 0.52
FDPS P14324 6/20 0.45
METAP1 P53582 1/20 0.41
LPAR3 Q9UBY5 3/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 2/20 0.38
LAP3 P28838 1/20 0.37
S1PR2 O95136 3/20 0.37
S1PR1 P21453 3/20 0.37
S1PR3 Q99500 3/20 0.37
S1PR4 O95977 2/20 0.37

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
SCHEMBL5963330 0.88 METAP1 (0.48) PTPN1SMPD1FDPSMETAP1LPAR3
SCHEMBL27487570 0.83 PTPN1 (0.59) PTPN1SMPD1FDPSMETAP1LPAR3
SCHEMBL29068466 0.82 SMPD1 (0.53) PTPN1SMPD1FDPSMETAP1LPAR3
SCHEMBL865553 0.81 SMPD1 (0.62) PTPN1SMPD1FDPSLPAR3LPAR1
Ammonia Solution, Strong SCHEMBL10697498 0.81 PTPN1 (0.53) PTPN1SMPD1FDPSMETAP1LPAR3
SCHEMBL4947119 0.81 SMPD1 (0.61) PTPN1SMPD1FDPSLPAR3LPAR1
SCHEMBL29068456 0.81 SMPD1 (0.52) PTPN1SMPD1FDPSMETAP1LPAR3
SCHEMBL26108854 0.80 PTPN1 (0.43) PTPN1SMPD1FDPSLPAR3LPAR1
SCHEMBL26109400 0.80 PTPN1 (0.43) PTPN1SMPD1FDPSLPAR3LPAR1
SCHEMBL5963398 0.79 SMPD1 (0.39) PTPN1SMPD1FDPSMETAP1LPAR3

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-20060172201-A1 Non-aqueous electrolyte and lithium secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2006-08-03 US disclosed
EP-1357628-A1 NONAQUEOUS ELECTROLYTIC LIQUIDS AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2003-10-29 EP disclosed