SCHEMBL6960950

SCHEMBL6960950

CC(C)c1ccc(C2CCCCC2)c(Sc2c(O)cc(-c3ccccc3)oc2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
ABCB1 P08183 3/20 0.34
CDK5 Q00535 7/20 0.33
CDK5R1 Q15078 7/20 0.33
PSMB8 P28062 1/20 0.33
PSMB5 P28074 1/20 0.33
MAPT P10636 2/20 0.32
ALOX15 P16050 2/20 0.32
CYP1A2 P05177 2/20 0.32
PKM P14618 2/20 0.32
CYP1B1 Q16678 2/20 0.32
FTO Q9C0B1 2/20 0.32
CYP19A1 P11511 2/20 0.32

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
SCHEMBL6963983 0.99 SMN1; SMN2 (0.37) SMN1; SMN2POLBL3MBTL1TNKSPARP1
SCHEMBL6957519 0.95 SMN1; SMN2 (0.38) SMN1; SMN2POLBL3MBTL1TNKSPARP1
SCHEMBL6965568 0.86 SMN1; SMN2 (0.41) SMN1; SMN2POLBL3MBTL1HDAC6ABCB1
SCHEMBL6965166 0.85 SMN1; SMN2 (0.42) SMN1; SMN2POLBL3MBTL1HDAC6ABCB1
SCHEMBL6965243 0.82 SMN1; SMN2 (0.42) SMN1; SMN2POLBL3MBTL1TNKSPARP1
SCHEMBL6955477 0.81 GPR132 (0.36) SMN1; SMN2KMT2AHPGD
SCHEMBL6953776 0.81 TNKS (0.42) SMN1; SMN2POLBL3MBTL1TNKSPARP1
SCHEMBL6955460 0.80 NPC1 (0.36) SMN1; SMN2KMT2AHPGD
SCHEMBL6965647 0.80 SMN1; SMN2 (0.44) SMN1; SMN2POLBL3MBTL1TNKSPARP1
SCHEMBL6955834 0.79 SMN1; SMN2 (0.39) SMN1; SMN2POLBL3MBTL1TNKSPARP1

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