SCHEMBL8724394

SCHEMBL8724394

CCCCCCCCCCCCCCCCCCOC[C@H](CO)OP(=O)(O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.60
LPAR1 Q92633 9/20 0.60
LPAR5 Q9H1C0 4/20 0.58
USP2 O75604 1/20 0.54
LPAR2 Q9HBW0 6/20 0.50
LPAR6 P43657 3/20 0.50
LPAR4 Q99677 3/20 0.50
SMPD1 P17405 3/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PLA2G2C Q5R387 1/20 0.48
HTT P42858 1/20 0.45

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
SCHEMBL9346178 1.00 LPAR3 (0.60) LPAR3LPAR1LPAR5USP2LPAR2
SCHEMBL7549117 1.00 LPAR3 (0.60) LPAR3LPAR1LPAR5USP2LPAR2
SCHEMBL173661 0.98 LPAR3 (0.58) LPAR3LPAR1LPAR5USP2LPAR2
SCHEMBL87627 0.98 LPAR3 (0.58) LPAR3LPAR1LPAR5USP2LPAR2
SCHEMBL10566910 0.91 LPAR3 (0.66) LPAR3LPAR1LPAR5USP2LPAR2
SCHEMBL10563405 0.91 LPAR3 (0.66) LPAR3LPAR1LPAR5USP2LPAR2
SCHEMBL2126767 0.91 LPAR3 (0.56) LPAR3LPAR1LPAR5LPAR2
SCHEMBL4240007 0.91 LPAR3 (0.56) LPAR3LPAR1LPAR5LPAR2
SCHEMBL10566055 0.90 LPAR3 (0.60) LPAR3LPAR1LPAR5USP2LPAR2
SCHEMBL31252907 0.88 ALDH1A1 (0.58) LPAR3LPAR1LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5827831-A Lipid nucleotide analog prodrugs for oral administration NEXSTAR PHARMACEUTICALS, INC. (US) 1998-10-27 US disclosed
US-5744592-A IMPROVING THE BIOAVAILABILITY AND ABSORPTION OF A DRUG THROUGH THE DIGESTIVE TRACT BY COVALENTLY BONDING THE DRUG AND A 1-O-OR-S-ALKYL-SN-GLYCERO-3-PHOSPHATE NEXSTAR PHARMACEUTICALS, INC. (US) 1998-04-28 US disclosed
US-5484809-A ANTITUMOR VESTAR, INC. (US) 1996-01-16 US disclosed
EP-0674529-A1 LIPID PRODRUGS FOR ORAL ADMINISTRATION NeXstar Pharmaceuticals, Inc. (US) 1995-10-04 EP disclosed
US-5411947-A converting drugs having suitable functional groups to 1-O-alkyl-, 1-O-acyl-, 1-S-acyl, and 1-S-alkyl-sn-glycero-3-phosphate derivatives; drugs such as AZT, cladribine, AICA-Riboside VESTAR, INC. (US) 1995-05-02 US disclosed
WO-1994013324-A1 LIPID PRODRUGS FOR ORAL ADMINISTRATION VESTAR, INC. (US) 1994-06-23 WO disclosed