SCHEMBL6607379

SCHEMBL6607379

COC(=O)c1ccccc1SC1=C(O)CC(CCC(C)C)(c2ccccc2)OC1=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LDHA P00338 16/20 0.55
LDHB P07195 7/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CRBN Q96SW2 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL6606753 0.90 LDHA (0.56) LDHALDHBSMN1; SMN2L3MBTL1POLB
SCHEMBL6606238 0.89 LDHA (0.55) LDHALDHBSMN1; SMN2L3MBTL1POLB
SCHEMBL6606893 0.83 LDHA (0.56) LDHALDHB
SCHEMBL6608000 0.81 LDHA (0.53) LDHALDHB
SCHEMBL7439795 0.80 LDHA (0.51) LDHALDHBSMN1; SMN2L3MBTL1
SCHEMBL8342606 0.78 LDHA (0.47) LDHALDHBPOLB
SCHEMBL6608866 0.77 LDHA (0.48) LDHALDHBPOLB
SCHEMBL6606212 0.77 LDHA (0.44) LDHALDHB
SCHEMBL7439327 0.77 LDHA (0.51) LDHALDHB
SCHEMBL6608692 0.77 LDHA (0.47) LDHALDHB

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 7 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-0729463-B1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2002-05-22 EP disclosed
EP-1142887-A1 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents PARKE, DAVIS & COMPANY (US) 2001-10-10 EP disclosed
EP-0729463-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & COMPANY (US) 1996-09-04 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