SCHEMBL6607582

SCHEMBL6607582

Cc1ccc(C)c(CSC2=C(O)CC(CCC(C)C)(c3ccccc3)OC2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 9/20 0.42
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LDHB P07195 2/20 0.34
MAPT P10636 4/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL8343203 0.92 LDHA (0.41) LDHAHTTKDM4ETDP1MEN1
SCHEMBL6603142 0.87 LDHA (0.41) LDHAHTTKDM4ETDP1MEN1
SCHEMBL6607921 0.85 LDHA (0.43) LDHAKDM4ETDP1LDHB
SCHEMBL6608866 0.84 LDHA (0.48) LDHALDHB
SCHEMBL6607008 0.83 LDHA (0.54) LDHALDHB
SCHEMBL6606214 0.82 LDHA (0.43) LDHAHTTMEN1KMT2ALDHB
SCHEMBL6604999 0.81 LDHA (0.42) LDHATDP1LDHB
SCHEMBL6608000 0.79 LDHA (0.53) LDHALDHB
SCHEMBL6610895 0.79 LDHA (0.47) LDHALDHB
SCHEMBL6608692 0.79 LDHA (0.47) LDHALDHB

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 8 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-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-0729464-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729463-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014011-A2 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed