SCHEMBL5963398

SCHEMBL5963398

CCC(OP(=O)(O)O)C(C)OP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.39
PTPN1 P18031 1/20 0.39
METAP1 P53582 1/20 0.38
LAP3 P28838 1/20 0.34
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 1/20 0.33
LPAR3 Q9UBY5 3/20 0.30
LPAR1 Q92633 2/20 0.30
LPAR2 Q9HBW0 2/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP8 P22894 1/20 0.30
CA9 Q16790 1/20 0.30
FDPS P14324 1/20 0.30

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
SCHEMBL18769166 0.85 SMPD1 (0.45) SMPD1PTPN1METAP1LAP3MMP1
SCHEMBL1921579 0.84 SMPD1 (0.41) SMPD1PTPN1METAP1LAP3MMP1
SCHEMBL27487573 0.83 METAP1 (0.48) SMPD1PTPN1METAP1LAP3LPAR3
SCHEMBL5963330 0.83 METAP1 (0.48) SMPD1PTPN1METAP1LPAR3LPAR1
SCHEMBL16225024 0.81 SMPD1 (0.42) SMPD1PTPN1METAP1LAP3MMP1
SCHEMBL38660110 0.81 MMP1 (0.39) SMPD1PTPN1MMP1MMP2MMP3
SCHEMBL38659379 0.81 MMP1 (0.39) SMPD1PTPN1MMP1MMP2MMP3
SCHEMBL38659602 0.81 MMP1 (0.39) SMPD1PTPN1MMP1MMP2MMP3
SCHEMBL38659439 0.81 MMP1 (0.39) SMPD1PTPN1MMP1MMP2MMP3
SCHEMBL29059648 0.80 SMPD1 (0.38) SMPD1PTPN1METAP1LAP3MMP1

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