SCHEMBL6604327

SCHEMBL6604327

CC(C)CC1(c2ccccc2)CC(O)=C(SCc2ccccc2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LDHA P00338 13/20 0.47
S100A4 P26447 1/20 0.40
LDHB P07195 5/20 0.38
EGFR P00533 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
IDO1 P14902 1/20 0.34
DAO P14920 2/20 0.34

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
SCHEMBL6606447 0.89 LDHA (0.47) LDHALDHBEGFR
SCHEMBL6608866 0.88 LDHA (0.48) LDHAS100A4LDHBEGFRPOLB
SCHEMBL6607615 0.86 LDHA (0.44) LDHAS100A4LDHBEGFRPOLB
SCHEMBL6603774 0.84 LDHA (0.48) LDHAS100A4LDHBEGFRHPGD
SCHEMBL6606612 0.83 LDHA (0.49) LDHAS100A4LDHBEGFRDAO
SCHEMBL6604082 0.82 LDHA (0.47) LDHAS100A4LDHBEGFRDAO
SCHEMBL6603220 0.81 LDHA (0.46) LDHAS100A4LDHBEGFR
SCHEMBL6604705 0.81 LDHA (0.45) LDHAS100A4LDHBEGFR
SCHEMBL6606948 0.80 LDHA (0.47) LDHAS100A4LDHBEGFRPOLB
SCHEMBL6607921 0.80 LDHA (0.43) LDHAS100A4LDHBDAO

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 11 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
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-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