SCHEMBL4551628

SCHEMBL4551628

C=CCOC(O)CCOP(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.44
LPAR2 Q9HBW0 6/20 0.44
MPI P34949 1/20 0.34
LPAR1 Q92633 4/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
PGD P52209 2/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30

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
SCHEMBL4558823 0.82 PLA2G2C (0.32)
SCHEMBL28192080 0.79 LPAR3 (0.42) LPAR3LPAR2LPAR1
SCHEMBL3424417 0.75 CA1 (0.41)
SCHEMBL202466 0.74 LPAR3 (0.43) LPAR3LPAR2MPILPAR1PGK1
SCHEMBL28109870 0.73 TDP1 (0.30)
SCHEMBL11675767 0.72 LPAR3 (0.41) LPAR3LPAR2MPILPAR1PGK1
SCHEMBL27190160 0.72 LPAR3 (0.41) LPAR3LPAR2MPILPAR1PGK1
Phosphoric Acid SCHEMBL1012536 0.72 TSHR (0.36)
SCHEMBL17923954 0.72 LPAR3 (0.48) LPAR3LPAR2MPILPAR1PGK1
SCHEMBL30321 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4301571-B2 2009-07-22 JP claimed
EP-0837630-A4 PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY UNIV CALIFORNIA (US) 1998-11-25 EP claimed
EP-0837630-A1 PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-04-29 EP claimed
WO-1996039831-A1 PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-12-19 WO claimed
US-7517858-B1 Prodrugs of pharmaceuticals with improved bioavailability THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-14 US 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