SCHEMBL6960131

SCHEMBL6960131

CC(C)CC(SC1CCCCC1)c1c(O)cc(-c2ccccc2)oc1=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CDK5 Q00535 11/20 0.35
CDK5R1 Q15078 11/20 0.35
VKORC1 Q9BQB6 2/20 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
SCHEMBL6953451 0.99 SMN1; SMN2 (0.39) ABCB1POLBSMN1; SMN2L3MBTL1CDK5
SCHEMBL6954821 0.87 POLB (0.38) ABCB1POLBSMN1; SMN2L3MBTL1CDK5
SCHEMBL6955420 0.86 SMN1; SMN2 (0.39) ABCB1POLBSMN1; SMN2L3MBTL1CDK5
SCHEMBL6953834 0.86 SMN1; SMN2 (0.39) ABCB1POLBSMN1; SMN2L3MBTL1CDK5
SCHEMBL6956156 0.86 SMN1; SMN2 (0.39) ABCB1POLBSMN1; SMN2L3MBTL1CDK5
SCHEMBL6964290 0.86 HTT (0.40) SMN1; SMN2
SCHEMBL6963486 0.86 ABCB1 (0.38) ABCB1POLBSMN1; SMN2L3MBTL1CDK5
SCHEMBL6965588 0.85 SMN1; SMN2 (0.40) ABCB1POLBSMN1; SMN2L3MBTL1CDK5
SCHEMBL6953348 0.81 SMN1; SMN2 (0.41) ABCB1POLBSMN1; SMN2L3MBTL1CDK5
SCHEMBL6956690 0.80 SMN1; SMN2 (0.43) ABCB1POLBSMN1; SMN2L3MBTL1CDK5

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 10 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
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 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