SCHEMBL8722280

SCHEMBL8722280

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.66
PLA2G2D Q9UNK4 1/20 0.54
LPAR1 Q92633 7/20 0.51
LPAR3 Q9UBY5 7/20 0.51
LPAR5 Q9H1C0 4/20 0.49
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LPAR2 Q9HBW0 4/20 0.46
LPAR6 P43657 3/20 0.46
LPAR4 Q99677 3/20 0.46
USP2 O75604 1/20 0.45
HTT P42858 1/20 0.44
AKT1 P31749 2/20 0.43
AKT2 P31751 2/20 0.43
AKT3 Q9Y243 2/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 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
SCHEMBL2523588 0.99 PLA2G2C (0.64) PLA2G2CPLA2G2DLPAR1LPAR3LPAR5
SCHEMBL10607739 0.93 PLA2G2C (0.74) PLA2G2CPLA2G2DLPAR1LPAR3LPAR5
SCHEMBL9496438 0.92 LPAR3 (0.56) PLA2G2CLPAR1LPAR3LPAR5CYP2C9
SCHEMBL14659956 0.84 PRKCA (0.56) LPAR1LPAR3LPAR5LPAR2LPAR6
Octane SCHEMBL5312682 0.84 PLA2G2C (0.48) PLA2G2CPLA2G2DLPAR1LPAR3
SCHEMBL7204294 0.84 PRKCA (0.56) LPAR1LPAR3LPAR5LPAR2LPAR6
SCHEMBL6254776 0.84 PRKCA (0.56) LPAR1LPAR3LPAR5LPAR2LPAR6
SCHEMBL10566721 0.83 PRKD3 (0.50) PLA2G2CLPAR1LPAR3LPAR5AKT1
SCHEMBL10884407 0.82 PLA2G2C (0.75) PLA2G2CPLA2G2DLPAR1LPAR3LPAR5
SCHEMBL4485528 0.82 PLA2G2C (0.75) PLA2G2CPLA2G2DLPAR1LPAR3LPAR5

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 4 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
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