SCHEMBL7440712

SCHEMBL7440712

Cc1ccc(C(C)C)c(SC2=C(O)CC(CCc3ccc(N4CCS(=O)(=O)CC4)cc3)(c3ccccc3)OC2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LDHA P00338 17/20 0.41
LDHB P07195 9/20 0.38
ASAH1 Q13510 1/20 0.35
RORC P51449 1/20 0.33

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
SCHEMBL6604139 0.88 LDHA (0.48) LDHALDHB
SCHEMBL9050696 0.83 LDHA (0.38) LDHALDHB
SCHEMBL7451468 0.81 LDHA (0.42) LDHALDHB
SCHEMBL6604343 0.81 LDHA (0.48) LDHALDHBASAH1
SCHEMBL7438931 0.79 LDHA (0.39) LDHALDHB
SCHEMBL7445399 0.79 LDHA (0.40) LDHALDHB
SCHEMBL7441853 0.79 LDHA (0.39) LDHALDHB
SCHEMBL6604694 0.78 LDHA (0.54) LDHALDHB
SCHEMBL7440601 0.77 LDHA (0.46) LDHALDHB
SCHEMBL7437969 0.75 LDHA (0.36) LDHA

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-0729463-B1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2002-05-22 EP claimed
WO-1995014011-A2 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO claimed
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
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