SCHEMBL6956056

SCHEMBL6956056

O=C(O)c1ccc(-c2cc(O)c(SCCc3ccccc3)c(=O)o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.47
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
VCP P55072 1/20 0.42
FAAH O00519 1/20 0.42
SRD5A2 P31213 1/20 0.39
HDAC1 Q13547 1/20 0.37
EGFR P00533 1/20 0.37
BCL2 P10415 1/20 0.36
DAO P14920 1/20 0.36
MCL1 Q07820 1/20 0.36
BCL2A1 Q16548 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PLA2G2A P14555 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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) POLBSMN1; SMN2L3MBTL1HDAC1DAO
SCHEMBL6960622 0.90 SMN1; SMN2 (0.49) TNKSPOLBSMN1; SMN2L3MBTL1HDAC1
SCHEMBL6956148 0.89 PTGES (0.45) TNKSPOLBSMN1; SMN2L3MBTL1FAAH
SCHEMBL6964247 0.87 AR (0.42) TNKSPOLBSMN1; SMN2L3MBTL1NPC1
SCHEMBL6952530 0.86 TNKS (0.53) TNKSPOLBSMN1; SMN2L3MBTL1NPC1
SCHEMBL6960159 0.86 SMN1; SMN2 (0.40) POLBSMN1; SMN2L3MBTL1HDAC1BCL2
SCHEMBL6953671 0.85 MRGPRX4 (0.48) SMN1; SMN2RAB9A
SCHEMBL6963439 0.85 SMN1; SMN2 (0.40) POLBSMN1; SMN2L3MBTL1HDAC1GPR84
SCHEMBL6957097 0.85 CYSLTR1 (0.41) POLBSMN1; SMN2L3MBTL1GPR84ABCB1
SCHEMBL8586973 0.85 POLB (0.44) POLBSMN1; SMN2L3MBTL1ABCB1HPGD

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 7 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 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