SCHEMBL5963560

SCHEMBL5963560

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.50
LPAR2 Q9HBW0 6/20 0.50
LPAR1 Q92633 6/20 0.50
PTPN1 P18031 2/20 0.44
SMPD1 P17405 3/20 0.42
LPAR5 Q9H1C0 1/20 0.36
SGPL1 O95470 1/20 0.33

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
SCHEMBL5963491 0.98 LPAR3 (0.53) LPAR3LPAR2LPAR1PTPN1SMPD1
SCHEMBL5963335 0.95 LPAR3 (0.47) LPAR3LPAR2LPAR1PTPN1SMPD1
SCHEMBL5963805 0.88 LPAR3 (0.41) LPAR3LPAR2LPAR1PTPN1SMPD1
SCHEMBL5963864 0.86 LPAR3 (0.48) LPAR3LPAR2LPAR1PTPN1SMPD1
SCHEMBL5963431 0.85 LPAR3 (0.52) LPAR3LPAR2LPAR1PTPN1SMPD1
SCHEMBL29758189 0.83 SMPD1 (0.62) LPAR3LPAR2LPAR1PTPN1SMPD1
SCHEMBL11309792 0.83 SMPD1 (0.62) LPAR3LPAR2LPAR1PTPN1SMPD1
SCHEMBL29758191 0.83 SMPD1 (0.62) LPAR3LPAR2LPAR1PTPN1SMPD1
SCHEMBL28982745 0.81 SMPD1 (0.61) LPAR3LPAR2LPAR1PTPN1SMPD1
SCHEMBL28982728 0.81 SMPD1 (0.61) LPAR3LPAR2LPAR1PTPN1SMPD1

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