SCHEMBL6604717

SCHEMBL6604717

Cc1ccc(S(=O)(=O)S)cc1Cc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
HTT P42858 1/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 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
SCHEMBL6604723 0.85 ALDH1A1 (0.46) POLBATMMAPTL3MBTL1SMN1; SMN2
SCHEMBL6605218 0.76 POLB (0.41) POLBATMMAPTL3MBTL1SMN1; SMN2
SCHEMBL6604576 0.72 TAAR1 (0.42) POLBSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6603744 0.71 IDH1 (0.43) POLBL3MBTL1
SCHEMBL109195 0.71 TAAR1 (0.64) MAPTALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL6609440 0.70 HTR2A (0.40) KMT2A
SCHEMBL12709766 0.70 ALDH1A1 (0.58) POLBATMMAPTL3MBTL1SMN1; SMN2
SCHEMBL16560422 0.70 SLC5A2 (0.53) MAPTL3MBTL1KMT2AMEN1HTT
SCHEMBL26364490 0.70 SLC5A2 (0.59) KMT2AMEN1
SCHEMBL108109 0.69 TAAR1 (0.62) MAPTALDH1A1CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142887-B1 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents PARKE DAVIS & CO (US) 2004-04-07 EP disclosed
EP-0729464-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014012-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014011-A2 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed