SCHEMBL3206

SCHEMBL3206

CCOC(=O)c1c(-c2ccc(F)cc2)nc(OC)nc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
GRM6 O15303 1/20 0.46
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 2/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SLC10A2 Q12908 1/20 0.45
PTGS2 P35354 1/20 0.44
PRKCZ Q05513 1/20 0.43
ADORA3 P0DMS8 3/20 0.43
GAA P10253 2/20 0.43
SLC26A6 Q9BXS9 1/20 0.43
POLB P06746 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
SCHEMBL15481445 0.87 ALDH1A1 (0.47) GCGRTRPM8GRM6ALDH1A1L3MBTL1
SCHEMBL3843460 0.85 PRKCZ (0.52) GCGRTRPM8GRM6ALDH1A1L3MBTL1
SCHEMBL8199366 0.83 ALDH1A1 (0.44) GCGRTRPM8GRM6ALDH1A1L3MBTL1
SCHEMBL3589 0.83 ALDH1A1 (0.44) GCGRTRPM8GRM6ALDH1A1L3MBTL1
SCHEMBL8178136 0.83 GCGR (0.64) GCGRTRPM8GRM6ALDH1A1L3MBTL1
SCHEMBL2211 0.83 ALDH1A1 (0.47) GCGRTRPM8GRM6ALDH1A1L3MBTL1
SCHEMBL9562753 0.82 ADORA3 (0.52) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL2768 0.82 PTGS2 (0.53) GCGRTRPM8GRM6ALDH1A1L3MBTL1
SCHEMBL13847943 0.81 GCGR (0.43) GCGRTRPM8GRM6ALDH1A1L3MBTL1
SCHEMBL7922156 0.81 ALDH1A1 (0.43) GCGRTRPM8GRM6ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37314-E1 Pyrimidine derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
US-5260440-A Anticholesterol agents SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-11-09 US disclosed
EP-0521471-A1 Pyrimidine derivatives as HMG-CoA reductase inhibitors SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-01-07 EP disclosed