SCHEMBL6960159

SCHEMBL6960159

O=c1oc(-c2ccc(Sc3ccccc3)cc2)cc(O)c1SCCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
GPR84 Q9NQS5 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
MCL1 Q07820 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA13 Q8N1Q1 2/20 0.36
BCL2 P10415 1/20 0.36
BCL2A1 Q16548 1/20 0.36
ABCB1 P08183 4/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HDAC1 Q13547 2/20 0.34
CYP1A2 P05177 2/20 0.34

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
SCHEMBL6954657 0.90 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1POLBGPR84CA12
SCHEMBL6960622 0.90 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1POLBGPR84MAOA
SCHEMBL6956148 0.89 PTGES (0.45) SMN1; SMN2L3MBTL1POLBGPR84MAOA
SCHEMBL6950945 0.87 GSK3B (0.47) SMN1; SMN2L3MBTL1POLBGPR84MEN1
SCHEMBL6964247 0.87 AR (0.42) SMN1; SMN2L3MBTL1POLBGPR84ABCB1
SCHEMBL6956056 0.86 TNKS (0.47) SMN1; SMN2L3MBTL1POLBGPR84MCL1
SCHEMBL6963439 0.85 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1POLBGPR84MAOA
SCHEMBL6957097 0.85 CYSLTR1 (0.41) SMN1; SMN2L3MBTL1POLBGPR84ABCB1
SCHEMBL6963458 0.84 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1POLBGPR84MAOA
SCHEMBL7371787 0.84 MAPK1 (0.37) L3MBTL1GPR84MAOAMAOBMCL1

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