SCHEMBL6958795

SCHEMBL6958795

CC(C)(C)c1ccc(C(C)(C)C)c(Sc2c(O)cc(-c3ccccc3)oc2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.38
ABCB1 P08183 5/20 0.36
KDM4E B2RXH2 3/20 0.36
PKM P14618 3/20 0.35
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
KDM1A O60341 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35

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
SCHEMBL7762369 0.89 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1POLBHTTABCB1
SCHEMBL6956759 0.88 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1POLBHTTABCB1
SCHEMBL6955834 0.86 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1POLBHTTABCB1
SCHEMBL6958076 0.78 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1POLBHTTABCB1
SCHEMBL6966155 0.77 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1POLBHTTABCB1
SCHEMBL6961039 0.75 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1POLBHTTABCB1
SCHEMBL6958434 0.75 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1POLBHTTABCB1
SCHEMBL7397801 0.75 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1POLBHTTABCB1
SCHEMBL6959051 0.74 ABCB1 (0.43) SMN1; SMN2L3MBTL1POLBHTTABCB1
SCHEMBL6963608 0.74 MEN1 (0.50) SMN1; SMN2L3MBTL1POLBHTTABCB1

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-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