SCHEMBL6963073

SCHEMBL6963073

Cc1cc(-c2cc(O)c(SCCc3ccccc3)c(=O)o2)ccc1OCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.43
PPARA Q07869 4/20 0.43
PPARG P37231 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FFAR1 O14842 1/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6964575 0.90 FFAR4 (0.44) MEN1KMT2AFFAR1MAPTL3MBTL1
SCHEMBL6959805 0.88 PTGS2 (0.46) PPARAPPARGMEN1KMT2AMAPT
SCHEMBL6956259 0.85 XDH (0.48) PPARDPPARAPPARGMAPTL3MBTL1
SCHEMBL6965249 0.85 HCAR2 (0.40) MEN1KMT2AMAPTL3MBTL1
SCHEMBL6959331 0.84 SYK (0.40)
SCHEMBL6959310 0.84 ABCB1 (0.43) MEN1KMT2AFFAR1
SCHEMBL6964221 0.84 HTR1A (0.41) PPARD
SCHEMBL6959585 0.83 FABP4 (0.45) PPARAPPARGMEN1KMT2AL3MBTL1
SCHEMBL6965244 0.83 ALOX5 (0.38) MEN1KMT2AMAPTL3MBTL1
SCHEMBL6966299 0.80 PPARD (0.41) PPARDPPARAPPARGFFAR1

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-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729466-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