SCHEMBL6958824

SCHEMBL6958824

COC(=O)c1ccc(CSc2c(O)cc(-c3ccccc3)oc2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
EGFR P00533 1/20 0.44
TP53 P04637 1/20 0.44
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
PDE7A Q13946 1/20 0.42
PDE7B Q9NP56 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL6963884 0.89 GSK3B (0.48) TNKSSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL6959313 0.88 POLB (0.50) TNKSSMN1; SMN2MAPTL3MBTL1POLB
SCHEMBL6956208 0.85 NTRK1 (0.48) TNKSSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6954786 0.85 SMN1; SMN2 (0.50) SMN1; SMN2MAPTL3MBTL1MAPK1POLB
SCHEMBL6964708 0.84 POLB (0.45) TNKSSMN1; SMN2MAPTL3MBTL1POLB
SCHEMBL6964784 0.83 L3MBTL1 (0.43) TNKSSMN1; SMN2MAPTNPC1L3MBTL1
SCHEMBL6964213 0.82 POLB (0.44) SMN1; SMN2MAPTL3MBTL1POLBALDH1A1
SCHEMBL6958649 0.81 NTRK1 (0.51) TNKSSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6952662 0.81 PTPN7 (0.47) TNKSSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6963367 0.79 POLB (0.45) TNKSSMN1; SMN2MAPTNPC1RAB9A

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
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP claimed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO claimed
EP-0729465-B1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2003-01-22 EP disclosed
US-6005103-A TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS WARNER-LAMBERT COMPANY (US) 1999-12-21 US disclosed
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed