SCHEMBL6955768

SCHEMBL6955768

O=c1oc(-c2ccccc2)cc(O)c1C(SCc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
PPARG P37231 2/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
ABCB1 P08183 7/20 0.39
MAPT P10636 6/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ALOX15 P16050 4/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
TP53 P04637 4/20 0.38
CYP3A4 P08684 4/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
CYP1A1 P04798 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP1B1 Q16678 3/20 0.38

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
SCHEMBL9038370 0.89 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1POLBPPARGPPARD
SCHEMBL6951061 0.84 EPHX1 (0.38) SMN1; SMN2L3MBTL1PPARGPPARDPPARA
SCHEMBL6963205 0.81 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1POLBPPARGPPARD
SCHEMBL6959106 0.81 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1POLBPPARGPPARD
SCHEMBL6954004 0.80 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1POLBPPARGPPARA
SCHEMBL6958694 0.80 POLB (0.39) SMN1; SMN2L3MBTL1POLBPPARGPPARD
SCHEMBL9038373 0.79 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1POLBPPARGPPARD
SCHEMBL6954754 0.78 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1POLBPPARGPPARD
SCHEMBL7409285 0.78 ABCB1 (0.39) SMN1; SMN2L3MBTL1POLBABCB1MAPT
SCHEMBL6954902 0.76 PTGES (0.44) SMN1; SMN2L3MBTL1POLBPPARGPPARD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729465-B1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2003-01-22 EP claimed
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP claimed
WO-1995014013-A1 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