SCHEMBL5963330

SCHEMBL5963330

CCCC(OP(=O)(O)O)C(C)OP(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.48
SMPD1 P17405 3/20 0.46
PTPN1 P18031 1/20 0.44
FDPS P14324 6/20 0.41
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
S1PR2 O95136 3/20 0.32
S1PR1 P21453 3/20 0.32
S1PR3 Q99500 3/20 0.32
S1PR4 O95977 2/20 0.32

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
SCHEMBL5963564 0.88 PTPN1 (0.53) METAP1SMPD1PTPN1FDPSLPAR3
SCHEMBL1923670 0.85 SMPD1 (0.47) METAP1SMPD1PTPN1FDPSLPAR3
SCHEMBL5964464 0.83 SMPD1 (0.46) METAP1SMPD1PTPN1FDPSLPAR3
SCHEMBL27487573 0.83 METAP1 (0.48) METAP1SMPD1PTPN1FDPSLPAR3
SCHEMBL29068438 0.83 METAP1 (0.48) METAP1SMPD1PTPN1FDPSLPAR3
SCHEMBL5963398 0.83 SMPD1 (0.39) METAP1SMPD1PTPN1FDPSLPAR3
SCHEMBL18769274 0.81 SMPD1 (0.47) METAP1SMPD1PTPN1FDPSLPAR3
SCHEMBL27487570 0.79 PTPN1 (0.59) METAP1SMPD1PTPN1FDPSLPAR3
SCHEMBL5908906 0.79 METAP1 (0.44) METAP1SMPD1PTPN1FDPS
SCHEMBL29068472 0.78 METAP1 (0.52) METAP1SMPD1PTPN1FDPSLPAR3

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