SCHEMBL6965244

SCHEMBL6965244

Cc1cc(-c2cc(O)c(SCCc3ccccc3)c(=O)o2)ccc1[O]

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
GPR84 Q9NQS5 1/20 0.36
PTGES O14684 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
PTGS2 P35354 1/20 0.35
USP2 O75604 1/20 0.34
VCP P55072 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
PNP P00491 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL6965249 0.91 HCAR2 (0.40) ALOX5GPR84PTGESL3MBTL1SMN1; SMN2
SCHEMBL6954657 0.85 SMN1; SMN2 (0.44) ALOX5GPR84PTGESL3MBTL1SMN1; SMN2
SCHEMBL6960622 0.84 SMN1; SMN2 (0.49) GPR84PTGESL3MBTL1SMN1; SMN2POLB
SCHEMBL6964575 0.84 FFAR4 (0.44) PTGESL3MBTL1POLBMAPTKDM4E
SCHEMBL6959805 0.84 PTGS2 (0.46) ALOX5PTGESL3MBTL1SMN1; SMN2POLB
SCHEMBL6952786 0.84 L3MBTL1 (0.39) GPR84L3MBTL1SMN1; SMN2POLBPTGS2
SCHEMBL6956148 0.83 PTGES (0.45) GPR84PTGESL3MBTL1SMN1; SMN2POLB
SCHEMBL6963073 0.83 PPARD (0.43) L3MBTL1MAPTMEN1KMT2A
SCHEMBL6959678 0.82 SMN1; SMN2 (0.42) ALOX5GPR84L3MBTL1SMN1; SMN2POLB
SCHEMBL6964247 0.81 AR (0.42) GPR84L3MBTL1SMN1; SMN2POLBKDM4E

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