SCHEMBL6964669

SCHEMBL6964669

Cc1cc(-c2cc(O)c(SCc3ccccc3)c(=O)o2)cc(C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
EGFR P00533 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
DAO P14920 2/20 0.38
NQO1 P15559 1/20 0.38
PTPN1 P18031 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FTO Q9C0B1 2/20 0.36
NPC1 O15118 1/20 0.36
ABCB1 P08183 3/20 0.36
PIK3CG P48736 1/20 0.35
S100A4 P26447 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GABRP O00591 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
SCHEMBL6963460 0.89 EGFR (0.41) ELANESMN1; SMN2L3MBTL1POLBEGFR
SCHEMBL6954786 0.87 SMN1; SMN2 (0.50) ELANESMN1; SMN2L3MBTL1POLBHSD17B1
SCHEMBL6965958 0.87 ELANE (0.40) ELANESMN1; SMN2L3MBTL1POLBEGFR
SCHEMBL6963367 0.86 POLB (0.45) SMN1; SMN2L3MBTL1POLBEGFRDAO
SCHEMBL6953390 0.84 SMN1; SMN2 (0.49) ELANESMN1; SMN2L3MBTL1POLBEGFR
SCHEMBL6964365 0.84 PTGES (0.47) ELANESMN1; SMN2POLBMEN1KMT2A
SCHEMBL6960015 0.84 ELANE (0.44) ELANESMN1; SMN2EGFRDAONQO1
SCHEMBL6958994 0.84 HPGD (0.45) ELANESMN1; SMN2EGFRDAONQO1
SCHEMBL6964708 0.84 POLB (0.45) SMN1; SMN2L3MBTL1POLBEGFRDAO
SCHEMBL6954509 0.84 NPC1 (0.47) SMN1; SMN2L3MBTL1POLBHSD17B1DAO

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