SCHEMBL6952506

SCHEMBL6952506

O=C(O)COc1ccc(-c2cc(O)c(Sc3ccccc3)c(=O)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.51
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PTPN7 P35236 2/20 0.40
FFAR1 O14842 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ABL1 P00519 1/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 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
SCHEMBL6958498 0.84 XDH (0.45) XDHAKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL6956259 0.84 XDH (0.48) XDHAKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL7397801 0.83 SMN1; SMN2 (0.54) XDHALDH1A1SMN1; SMN2HPGDALOX15
SCHEMBL6956354 0.78 KDM4E (0.42) XDHAKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL6958076 0.76 SMN1; SMN2 (0.58) XDHALDH1A1SMN1; SMN2HPGDALOX15
SCHEMBL6964231 0.74 EDNRA (0.51) ALDH1A1SMN1; SMN2HPGDPOLBL3MBTL1
SCHEMBL6960232 0.74 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2ALOX15POLBL3MBTL1
SCHEMBL6959585 0.73 FABP4 (0.45) XDHAKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL6961046 0.73 KDM4E (0.50) ALDH1A1HPGDPOLBKDM4EMAPT
SCHEMBL8434646 0.72 KDM4E (0.54) ALDH1A1HPGDPOLBKDM4EMAPT

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