SCHEMBL7445214

SCHEMBL7445214

CS(=O)(=O)N(C1=C(O)CC(CCc2ccccc2)(c2ccccc2)OC1=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.35
OPRM1 P35372 3/20 0.34
OPRL1 P41146 3/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EGFR P00533 1/20 0.33
UTS2R Q9UKP6 9/20 0.32
WRN Q14191 1/20 0.32
MCHR1 Q99705 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL7075213 0.87 OPRM1 (0.39) LDHAOPRM1OPRL1GAAL3MBTL1
SCHEMBL7079838 0.84 LDHA (0.38) LDHAOPRM1OPRL1GAAL3MBTL1
SCHEMBL7078683 0.84 LDHA (0.35) LDHAOPRM1OPRL1GAAL3MBTL1
SCHEMBL7075170 0.83 LDHA (0.36) LDHAOPRM1OPRL1GAAL3MBTL1
SCHEMBL7075144 0.82 LDHA (0.37) LDHAOPRM1OPRL1GAAL3MBTL1
SCHEMBL7074566 0.81 LDHA (0.35) LDHAOPRM1OPRL1GAAL3MBTL1
SCHEMBL7446274 0.81 LDHA (0.36) LDHAOPRM1OPRL1GAAL3MBTL1
SCHEMBL7075398 0.80 LDHA (0.34) LDHAOPRM1OPRL1GAAL3MBTL1
SCHEMBL7073418 0.80 LDHA (0.38) LDHAOPRM1OPRL1GAAL3MBTL1
SCHEMBL7077455 0.80 UTS2R (0.41) LDHAOPRM1OPRL1GAAL3MBTL1

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
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