SCHEMBL4752182

SCHEMBL4752182

CCCCCCCCCCCCCCCC(=O)C(OP(=O)(O)O)(C(=O)CCCCCCCCCCCCCCC)C(O)CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.44
ENPP2 Q13822 2/20 0.43
LPAR6 P43657 1/20 0.43
LPAR1 Q92633 1/20 0.43
LPAR4 Q99677 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43
LPAR2 Q9HBW0 1/20 0.43
LPAR3 Q9UBY5 1/20 0.43
FAAH O00519 7/20 0.41
CES1 P23141 5/20 0.41
CES2 O00748 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
DUSP3 P51452 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL1700578 1.00 SMPD1 (0.44) SMPD1ENPP2LPAR6LPAR1LPAR4
SCHEMBL875712 1.00 SMPD1 (0.44) SMPD1ENPP2LPAR6LPAR1LPAR4
SCHEMBL1270224 1.00 SMPD1 (0.44) SMPD1ENPP2LPAR6LPAR1LPAR4
SCHEMBL5011536 1.00 SMPD1 (0.44) SMPD1ENPP2LPAR6LPAR1LPAR4
SCHEMBL29752854 1.00 SMPD1 (0.44) SMPD1ENPP2LPAR6LPAR1LPAR4
SCHEMBL7807533 1.00 SMPD1 (0.44) SMPD1ENPP2LPAR6LPAR1LPAR4
SCHEMBL9951538 1.00 SMPD1 (0.44) SMPD1ENPP2LPAR6LPAR1LPAR4
Monoethanolamine SCHEMBL27957871 0.93 SMPD1 (0.41) SMPD1ENPP2LPAR6LPAR1LPAR4
SCHEMBL190586 0.92 LPAR1 (0.49) ENPP2LPAR6LPAR1LPAR4LPAR5
SCHEMBL29910363 0.92 LPAR1 (0.49) ENPP2LPAR6LPAR1LPAR4LPAR5

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
WO-2008140203-A1 PHOSPHOLIPID NANOSPHERES FOR SOLUBILIZATION OF DITERPENOID ALKALOID AND PREPARATION KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 WO claimed
WO-2008140203-A1 PHOSPHOLIPID NANOSPHERES FOR SOLUBILIZATION OF DITERPENOID ALKALOID AND PREPARATION KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 WO disclosed