SCHEMBL6605927

SCHEMBL6605927

O=C1OC(CCc2ccccc2)(c2ccccc2)CC(O)=C1SCc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 9/20 0.47
DAO P14920 2/20 0.42
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LDHB P07195 3/20 0.39
TOP2A P11388 2/20 0.38
MEN1 O00255 1/20 0.38
MAOB P27338 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSB P07858 1/20 0.38
PTPRC P08575 1/20 0.37
PTPRG P23470 1/20 0.37
ASAH1 Q13510 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL6606612 0.89 LDHA (0.49) LDHADAOLDHBMAOBL3MBTL1
SCHEMBL6606818 0.88 LDHA (0.43) LDHADAOALDH1A1HPGDMEN1
SCHEMBL6603245 0.85 LDHA (0.41) LDHADAOALDH1A1SMN1; SMN2CTSB
SCHEMBL6603256 0.85 DAO (0.44) LDHADAOALDH1A1MEN1KMT2A
SCHEMBL6606331 0.85 DAO (0.41) LDHADAOALDH1A1MEN1MAOB
SCHEMBL6603158 0.84 LDHA (0.49) LDHALDHBPTPRG
SCHEMBL6603325 0.84 LDHA (0.53) LDHADAOLDHBL3MBTL1
SCHEMBL6607939 0.83 LDHA (0.50) LDHALDHBMAOBL3MBTL1
SCHEMBL7446994 0.83 LDHA (0.44) LDHADAOSMN1; SMN2LDHBMEN1
SCHEMBL7446287 0.83 LDHA (0.44) LDHADAOALDH1A1SMN1; SMN2LDHB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142887-B1 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents PARKE DAVIS & CO (US) 2004-04-07 EP disclosed
EP-0729463-B1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2002-05-22 EP disclosed
EP-1142887-A1 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents PARKE, DAVIS & COMPANY (US) 2001-10-10 EP disclosed
US-5936128-A BENZENETHIOL COMPOUNDS AS INTERMEDIATES; BACTERICIDES, VIRICIDES; HIV WARNER-LAMBERT COMPANY (US) 1999-08-10 US disclosed
US-5840751-A ADMINISTERING IN THE TREATMENT OF INFECTION OR DISEASE CAUSED BY A RETROVIRUS WARNER-LAMBERT COMPANY (US) 1998-11-24 US disclosed
US-5789440-A 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents WARNER-LAMBERT COMPANY (US) 1998-08-04 US disclosed
EP-0729463-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014012-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014011-A2 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed