SCHEMBL6603774

SCHEMBL6603774

CCCC1(c2ccccc2)CC(O)=C(SCc2ccccc2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LDHA P00338 14/20 0.48
LDHB P07195 6/20 0.39
S100A4 P26447 1/20 0.38
EGFR P00533 1/20 0.36
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DAO P14920 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL6604082 0.93 LDHA (0.47) LDHALDHBS100A4EGFRKMT2A
SCHEMBL6603220 0.92 LDHA (0.46) LDHALDHBS100A4EGFR
SCHEMBL6604705 0.91 LDHA (0.45) LDHALDHBS100A4EGFRKMT2A
SCHEMBL6606915 0.89 LDHA (0.47) LDHALDHBEGFRL3MBTL1ALDH1A1
SCHEMBL6606612 0.89 LDHA (0.49) LDHALDHBS100A4EGFRL3MBTL1
SCHEMBL6608866 0.87 LDHA (0.48) LDHALDHBS100A4EGFRHPGD
SCHEMBL6606575 0.87 LDHA (0.41) LDHALDHBS100A4
SCHEMBL6607615 0.85 LDHA (0.44) LDHALDHBS100A4EGFRHPGD
SCHEMBL6604327 0.84 LDHA (0.47) LDHALDHBS100A4EGFRDAO
SCHEMBL6608585 0.84 LDHA (0.45) LDHALDHBS100A4EGFRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729463-B1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2002-05-22 EP claimed
EP-0729463-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & COMPANY (US) 1996-09-04 EP claimed
WO-1995014011-A2 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO claimed
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
EP-0729464-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