SCHEMBL6553653

SCHEMBL6553653

CCCCCCCCCCC(O)P(=O)(CP(=O)(OC)OC)OCC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.39
FDPS P14324 4/20 0.39
PLA2G2A P14555 1/20 0.38
LAP3 P28838 1/20 0.37
SGPL1 O95470 4/20 0.36
PTPN1 P18031 1/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR3 Q9UBY5 2/20 0.35
LPAR2 Q9HBW0 1/20 0.35
GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL13239576 0.75 TSHR (0.34) SMPD1FDPSPLA2G2ALPAR3
SCHEMBL4068245 0.75 SMPD1 (0.47) SMPD1FDPSLAP3SGPL1LPAR1
SCHEMBL9492034 0.73 FDPS (0.45) SMPD1FDPSLAP3SGPL1LPAR1
SCHEMBL2962258 0.69 FAAH (0.47) LPAR1LPAR3LPAR2
SCHEMBL11466053 0.68 FAAH (0.53) LPAR3LPAR2
SCHEMBL11094630 0.68 FAAH (0.53) LPAR3LPAR2
SCHEMBL10447327 0.67 FDPS (0.59) SMPD1FDPSLAP3LPAR3LPAR2
SCHEMBL10876126 0.67 FDPS (0.65) SMPD1FDPSLAP3LPAR3LPAR2
SCHEMBL1259333 0.67 FDPS (0.65) SMPD1FDPSLAP3LPAR3LPAR2
SCHEMBL2251269 0.67 FDPS (0.65) SMPD1FDPSLAP3LPAR3LPAR2

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
EP-1485391-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2004-12-15 EP disclosed
WO-2003080630-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2003-10-02 WO disclosed