SCHEMBL4483073

SCHEMBL4483073

CCCCCCCCCCCCCCCCCCOC[C@H](COC(=O)P(=O)(O)O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.50
LPAR1 Q92633 4/20 0.47
LPAR3 Q9UBY5 4/20 0.47
TLR2 O60603 8/20 0.46
LPAR2 Q9HBW0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL4481628 0.89 CETP (0.49) CETPLPAR1LPAR3TLR2LPAR2
SCHEMBL8735923 0.87 CETP (0.48) CETPLPAR1LPAR3TLR2LPAR2
SCHEMBL7813151 0.85 LPAR1 (0.52) CETPLPAR1LPAR3TLR2LPAR2
SCHEMBL25335565 0.85 LPAR1 (0.67) CETPLPAR1LPAR3LPAR2
SCHEMBL385051 0.85 LPAR1 (0.67) CETPLPAR1LPAR3LPAR2
SCHEMBL31069863 0.85 LPAR1 (0.67) CETPLPAR1LPAR3LPAR2
SCHEMBL10605748 0.84 PLA2G10 (0.47) CETPLPAR1LPAR3TLR2LPAR2
SCHEMBL10604578 0.84 PLA2G10 (0.47) CETPLPAR1LPAR3TLR2LPAR2
SCHEMBL10604671 0.84 PLA2G10 (0.47) CETPLPAR1LPAR3TLR2LPAR2
SCHEMBL18641859 0.84 PLA2G10 (0.47) CETPLPAR1LPAR3TLR2LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5696277-A CYTOMEGALOVIRUS, HERPES VIRUS Hostetler, Karl Y. (US) 1997-12-09 US 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-B1 PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY HOSTETLER KARL Y (US) 2007-12-26 EP disclosed
EP-0792275-B1 IMPROVED ANTIVIRAL PRODRUGS UNIV CALIFORNIA (US) 2004-03-03 EP disclosed
US-6002029-A Antiviral prodrugs CHIMERIX, INC. 1999-12-14 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
EP-0792275-A4 IMPROVED ANTIVIRAL PRODRUGS UNIV CALIFORNIA (US) 1998-02-25 EP disclosed
US-5696277-A CYTOMEGALOVIRUS, HERPES VIRUS Hostetler, Karl Y. (US) 1997-12-09 US disclosed
EP-0792275-A1 IMPROVED ANTIVIRAL PRODRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-09-03 EP disclosed
WO-1996039831-A1 PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-12-19 WO disclosed
WO-1996015132-A1 IMPROVED ANTIVIRAL PRODRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-05-23 WO disclosed