SCHEMBL6960410

SCHEMBL6960410

Cc1ccc(C(C)C)c(Sc2c(O)cc(-c3ccccc3)oc2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ABCB1 P08183 2/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TRPA1 O75762 1/20 0.39
LMNA P02545 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
HTT P42858 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
SCHEMBL6959070 0.91 POLB (0.42) POLBSMN1; SMN2L3MBTL1KDM4EABCB1
SCHEMBL6965243 0.88 SMN1; SMN2 (0.42) POLBSMN1; SMN2L3MBTL1KDM4EABCB1
SCHEMBL6961039 0.88 SMN1; SMN2 (0.46) POLBSMN1; SMN2L3MBTL1KDM4EABCB1
SCHEMBL6964073 0.87 AR (0.41) POLBSMN1; SMN2L3MBTL1KDM4EABCB1
SCHEMBL6953776 0.86 TNKS (0.42) POLBSMN1; SMN2L3MBTL1KDM4EABCB1
SCHEMBL6961237 0.85 QPCT (0.42) POLBSMN1; SMN2L3MBTL1KDM4EABCB1
SCHEMBL7762369 0.83 SMN1; SMN2 (0.41) POLBSMN1; SMN2L3MBTL1KDM4EABCB1
SCHEMBL6959292 0.82 POLB (0.35) POLBSMN1; SMN2L3MBTL1KDM4EABCB1
SCHEMBL6959051 0.82 ABCB1 (0.43) POLBSMN1; SMN2L3MBTL1KDM4EABCB1
SCHEMBL6953773 0.82 SMN1; SMN2 (0.37) POLBSMN1; SMN2L3MBTL1KDM4EABCB1

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