SCHEMBL9813006

SCHEMBL9813006

CCCCCCCCCC(OP(=O)(O)O)C(CC)CCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.61
PTPN1 P18031 2/20 0.60
FDPS P14324 5/20 0.47
S1PR2 O95136 5/20 0.45
S1PR1 P21453 5/20 0.45
S1PR3 Q99500 5/20 0.45
S1PR4 O95977 4/20 0.45
LAP3 P28838 2/20 0.44
LPAR3 Q9UBY5 3/20 0.43
LPAR1 Q92633 2/20 0.43
LPAR2 Q9HBW0 2/20 0.43

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
SCHEMBL2150629 1.00 SMPD1 (0.61) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL10783602 0.98 PTPN1 (0.59) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL2149510 0.93 SMPD1 (0.56) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL11837228 0.93 SMPD1 (0.65) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL5692946 0.93 PTPN1 (0.51) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL4178393 0.91 PTPN1 (0.50) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL28348566 0.91 SMPD1 (0.62) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL9484008 0.91 SMPD1 (0.62) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL9444627 0.86 SMPD1 (0.46) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL28322131 0.86 SMPD1 (0.50) SMPD1PTPN1FDPSS1PR2S1PR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0225661-B1 GELLING ORGANIC LIQUIDS PUMPTECH N.V. (BE) 1991-06-19 EP disclosed