SCHEMBL4485528

SCHEMBL4485528

CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.75
LPAR1 Q92633 7/20 0.61
LPAR3 Q9UBY5 7/20 0.61
LPAR5 Q9H1C0 4/20 0.61
LPAR6 P43657 3/20 0.61
LPAR4 Q99677 3/20 0.61
LPAR2 Q9HBW0 3/20 0.61
AKT1 P31749 5/20 0.56
AKT2 P31751 3/20 0.56
AKT3 Q9Y243 3/20 0.56
PIK3R1 P27986 2/20 0.56
PIK3CA P42336 2/20 0.56
PLCG2 P16885 1/20 0.56
GAB1 Q13480 1/20 0.56
PLA2G2D Q9UNK4 1/20 0.55
PRKD3 O94806 1/20 0.51
PRKCG P05129 1/20 0.51
PRKCB P05771 1/20 0.51
PRKCA P17252 1/20 0.51
PRKCH P24723 1/20 0.51

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
SCHEMBL10884407 1.00 PLA2G2C (0.75) PLA2G2CLPAR1LPAR3LPAR5LPAR6
SCHEMBL10935019 1.00 PLA2G2C (0.75) PLA2G2CLPAR1LPAR3LPAR5LPAR6
SCHEMBL11102642 0.91 LPAR1 (0.68) PLA2G2CLPAR1LPAR3LPAR5LPAR6
SCHEMBL29206150 0.90 PLA2G2C (0.73) PLA2G2CLPAR1LPAR3LPAR5LPAR6
SCHEMBL931685 0.90 PLA2G2C (0.73) PLA2G2CLPAR1LPAR3LPAR5LPAR6
SCHEMBL25394384 0.90 PLA2G2C (0.73) PLA2G2CLPAR1LPAR3LPAR5LPAR6
SCHEMBL29206151 0.90 PLA2G2C (0.73) PLA2G2CLPAR1LPAR3LPAR5LPAR6
SCHEMBL22092476 0.90 PLA2G2C (0.73) PLA2G2CLPAR1LPAR3LPAR5LPAR6
SCHEMBL21568785 0.90 PLA2G2C (0.73) PLA2G2CLPAR1LPAR3LPAR5LPAR6
SCHEMBL23300849 0.90 PLA2G2C (0.73) PLA2G2CLPAR1LPAR3LPAR5LPAR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517858-B1 Prodrugs of pharmaceuticals with improved bioavailability THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-14 US disclosed
EP-0837630-B1 PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY HOSTETLER KARL Y (US) 2007-12-26 EP disclosed
EP-0837630-A4 PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY UNIV CALIFORNIA (US) 1998-11-25 EP disclosed
EP-0837630-A1 PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-04-29 EP disclosed
WO-1996039831-A1 PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-12-19 WO disclosed
US-4804789-A D-mannite derivatives as starting products for the synthesis of phospholipids MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 1989-02-14 US disclosed
US-4734225-A ANTITUMOR AGENTS MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 1988-03-29 US disclosed