SCHEMBL6960264

SCHEMBL6960264

Cc1cccc(C)c1SC(CC(C)C)c1c(O)cc(-c2ccccc2)oc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
AR P10275 1/20 0.36
PKM P14618 1/20 0.36
CYP1B1 Q16678 1/20 0.36
FTO Q9C0B1 1/20 0.36
ADORA3 P0DMS8 1/20 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
SCHEMBL6958999 0.88 MEN1 (0.40) ABCB1SMN1; SMN2POLBL3MBTL1MAOA
SCHEMBL6956690 0.86 SMN1; SMN2 (0.43) ABCB1SMN1; SMN2POLBL3MBTL1MAOA
SCHEMBL6959874 0.80 ALDH1A1 (0.41) ABCB1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL6954004 0.80 SMN1; SMN2 (0.41) ABCB1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL6953451 0.77 SMN1; SMN2 (0.39) ABCB1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL6960131 0.77 ABCB1 (0.39) ABCB1SMN1; SMN2POLBL3MBTL1CDK5
SCHEMBL6964293 0.76 SMN1; SMN2 (0.42) ABCB1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL6963486 0.75 ABCB1 (0.38) ABCB1SMN1; SMN2POLBL3MBTL1CDK5
SCHEMBL6958947 0.74 SMN1; SMN2 (0.49) ABCB1SMN1; SMN2POLBL3MBTL1MAOA
SCHEMBL6959023 0.73 SMN1; SMN2 (0.43) ABCB1SMN1; SMN2POLBL3MBTL1MAOA

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-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