SCHEMBL6966299

SCHEMBL6966299

Cc1cc(-c2cc(O)c(Sc3ccccc3C(C)C)c(=O)o2)ccc1OCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
KDM4E B2RXH2 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
FFAR1 O14842 2/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 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
SCHEMBL6958498 0.87 XDH (0.45) KDM4ETHRATHRB
SCHEMBL6954819 0.84 SYK (0.38)
SCHEMBL6963073 0.80 PPARD (0.43) PPARDPPARGPPARAFFAR1
SCHEMBL6961039 0.80 SMN1; SMN2 (0.46) KDM4ETHRBCSNK2A2CSNK2BCSNK2A1
SCHEMBL6965414 0.79 CYP1A1 (0.47) KDM4ECSNK2A2CSNK2BCSNK2A1
SCHEMBL6962847 0.79 BCHE (0.39) CSNK2A2CSNK2BCSNK2A1
SCHEMBL6964073 0.79 AR (0.41) KDM4ECSNK2A2CSNK2BCSNK2A1
SCHEMBL6961046 0.78 KDM4E (0.50) KDM4ETHRB
SCHEMBL6963494 0.78 PTGES (0.43) KDM4ETHRBCSNK2A2CSNK2BCSNK2A1
SCHEMBL6965151 0.77 ABCB1 (0.45) FFAR1

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