SCHEMBL6964784

SCHEMBL6964784

COC(=O)c1ccccc1CSc1c(O)cc(-c2ccccc2)oc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
TNKS O95271 1/20 0.38
HPGD P15428 3/20 0.38
USP2 O75604 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
CASP6 P55212 1/20 0.38
PTPN11 Q06124 1/20 0.38
CXCR2 P25025 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL9039893 0.89 LMNA (0.43) L3MBTL1SMN1; SMN2POLBLMNAALDH1A1
SCHEMBL6955598 0.88 SMN1; SMN2 (0.47) L3MBTL1SMN1; SMN2POLBLMNAALDH1A1
SCHEMBL6965471 0.83 KDM4E (0.46) L3MBTL1SMN1; SMN2POLBALDH1A1TSHR
SCHEMBL6958824 0.83 TNKS (0.48) L3MBTL1SMN1; SMN2POLBPTGDR2LMNA
SCHEMBL6960618 0.82 DAO (0.46) L3MBTL1SMN1; SMN2POLBLMNAALDH1A1
SCHEMBL6963884 0.81 GSK3B (0.48) L3MBTL1SMN1; SMN2POLBPTGDR2LMNA
SCHEMBL6965449 0.80 PTGER4 (0.39) SMN1; SMN2POLBLMNAALDH1A1TSHR
SCHEMBL8538393 0.78 POLB (0.43) L3MBTL1SMN1; SMN2POLBLMNAALDH1A1
SCHEMBL9039901 0.77 SMN1; SMN2 (0.42) L3MBTL1SMN1; SMN2POLBLMNAALDH1A1
SCHEMBL6954786 0.77 SMN1; SMN2 (0.50) L3MBTL1SMN1; SMN2POLBALDH1A1HPGD

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