SCHEMBL6960147

SCHEMBL6960147

COc1cc(-c2cc(O)c(SCc3ccccc3)c(=O)o2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.53
PTGES O14684 3/20 0.51
PIK3CG P48736 1/20 0.47
PABPC1 P11940 1/20 0.46
ACHE P22303 1/20 0.45
PLK1 P53350 1/20 0.45
BACE1 P56817 1/20 0.45
ELANE P08246 1/20 0.43
CSNK2A2 P19784 2/20 0.43
CSNK2B P67870 2/20 0.43
CSNK2A1 P68400 2/20 0.43
LCK P06239 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE7A Q13946 1/20 0.42
PDE3A Q14432 1/20 0.42
PDE7B Q9NP56 1/20 0.42
CYP3A4 P08684 3/20 0.41

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
SCHEMBL6965693 0.85 ELANE (0.42) ALOX5PTGESPIK3CGACHEPLK1
SCHEMBL6964365 0.85 PTGES (0.47) ALOX5PTGESPIK3CGELANECSNK2A2
SCHEMBL6958649 0.84 NTRK1 (0.51) PIK3CGACHECYP1A1CYP1B1CYP3A4
SCHEMBL6958241 0.84 MAOB (0.46) ALOX5PTGESPIK3CGELANECSNK2A2
SCHEMBL6954786 0.83 SMN1; SMN2 (0.50) PTGESPLK1ELANECSNK2A2CSNK2B
SCHEMBL6963460 0.82 EGFR (0.41) PIK3CGELANEALDH1A1MAPTHPGD
SCHEMBL6965060 0.82 CYP3A4 (0.46) PIK3CGCYP1A1CYP1B1CYP3A4ALDH1A1
SCHEMBL6956208 0.82 NTRK1 (0.48) ACHECYP3A4ALDH1A1MAPTHPGD
SCHEMBL6964669 0.81 ELANE (0.39) PIK3CGPLK1ELANECSNK2A2CSNK2B
SCHEMBL6965958 0.81 ELANE (0.40) PIK3CGELANEALDH1A1MAPTPOLB

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-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