SCHEMBL6958694

SCHEMBL6958694

O=c1oc(-c2ccccc2)cc(O)c1C(SCC1CCCCC1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
ABCB1 P08183 1/20 0.35
CDK5 Q00535 5/20 0.35
CDK5R1 Q15078 5/20 0.35
BCHE P06276 3/20 0.34
RAB9A P51151 1/20 0.34
PDE7A Q13946 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
SCHEMBL6953348 0.84 SMN1; SMN2 (0.41) POLBSMN1; SMN2L3MBTL1PPARGPPARD
SCHEMBL6963486 0.82 ABCB1 (0.38) POLBSMN1; SMN2L3MBTL1ABCB1CDK5
SCHEMBL6955768 0.80 SMN1; SMN2 (0.44) POLBSMN1; SMN2L3MBTL1PPARGPPARD
SCHEMBL6954811 0.80 SMN1; SMN2 (0.44) POLBSMN1; SMN2L3MBTL1CDK5CDK5R1
SCHEMBL9038370 0.79 SMN1; SMN2 (0.43) POLBSMN1; SMN2L3MBTL1PPARGPPARD
SCHEMBL6954176 0.77 SMN1; SMN2 (0.39) POLBSMN1; SMN2L3MBTL1ABCB1CDK5
SCHEMBL6955420 0.77 SMN1; SMN2 (0.39) POLBSMN1; SMN2L3MBTL1ABCB1CDK5
SCHEMBL6953834 0.77 SMN1; SMN2 (0.39) POLBSMN1; SMN2L3MBTL1ABCB1CDK5
SCHEMBL6963205 0.76 SMN1; SMN2 (0.47) POLBSMN1; SMN2L3MBTL1PPARGPPARD
SCHEMBL6956156 0.74 SMN1; SMN2 (0.39) POLBSMN1; SMN2L3MBTL1PPARGPPARD

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 6 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 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