SCHEMBL6965009

SCHEMBL6965009

COc1ccc(CCSS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.74
ACHE P22303 8/20 0.74
G6PD P11413 2/20 0.57
ALDH1A1 P00352 5/20 0.54
HTT P42858 1/20 0.49
EGFR P00533 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL6963146 0.86 BCHE (0.58) BCHEACHEG6PD
SCHEMBL6954550 0.85 ACHE (1.00) BCHEACHEG6PDALDH1A1EGFR
SCHEMBL11790970 0.83 BCHE (0.73) BCHEACHEG6PDALDH1A1MAPT
SCHEMBL16943970 0.78 G6PD (0.68) BCHEACHEG6PDALDH1A1HTT
SCHEMBL6649884 0.77 G6PD (0.84) BCHEACHEG6PDALDH1A1SMN1; SMN2
SCHEMBL22262011 0.77 BCHE (0.57) BCHEACHEG6PDALDH1A1HTT
SCHEMBL8945368 0.76 G6PD (0.70) BCHEACHEG6PDALDH1A1MAPT
SCHEMBL8434517 0.75 BCHE (0.72) BCHEACHEG6PD
SCHEMBL13038170 0.75 ACHE (0.71) ACHELMNAMAPT
SCHEMBL6803332 0.75 ALDH1A1 (0.55) BCHEACHEALDH1A1HTTEGFR

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 4 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
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed