SCHEMBL4483094

SCHEMBL4483094

O=C[C@H](O)[C@H](O)COCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
KMT2A Q03164 1/20 0.50
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.46
TACR1 P25103 3/20 0.45
SLC1A1 P43005 1/20 0.45
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
MMP9 P14780 1/20 0.42
MMP14 P50281 1/20 0.42

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
SCHEMBL8645545 0.89 CA1 (0.49) CA1CA2CA7CA9KMT2A
SCHEMBL29090089 0.89 CA1 (0.49) CA1CA2CA7CA9KMT2A
SCHEMBL11790408 0.86 CA1 (0.46) CA1CA2CA7CA9KMT2A
SCHEMBL27829633 0.85 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL1578761 0.85 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL2483161 0.85 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL5980669 0.85 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL27957107 0.84 CA1 (0.44) CA1CA2CA7CA9KMT2A
SCHEMBL27581446 0.83 CA1 (0.50) CA1CA2CA7CA9KMT2A
SCHEMBL93708 0.83 CA1 (0.66) CA1CA2CA7CA9KMT2A

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 11 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-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