SCHEMBL7433280

SCHEMBL7433280

CC(C)c1ccccc1SC1=C(O)CC(CCCCCO)(c2ccccc2)OC1=O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LDHA P00338 18/20 0.55
LDHB P07195 10/20 0.43
CYP3A4 P08684 2/20 0.37
HSD11B1 P28845 2/20 0.37
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6603995 0.89 LDHA (0.52) LDHALDHB
SCHEMBL6606893 0.88 LDHA (0.56) LDHALDHB
SCHEMBL7444685 0.88 LDHA (0.50) LDHALDHB
SCHEMBL7439327 0.87 LDHA (0.51) LDHALDHB
SCHEMBL7434364 0.87 LDHA (0.49) LDHALDHB
SCHEMBL7444652 0.86 LDHA (0.48) LDHALDHB
SCHEMBL6604694 0.86 LDHA (0.54) LDHALDHB
SCHEMBL7450775 0.85 LDHA (0.48) LDHALDHB
SCHEMBL7438423 0.85 LDHA (0.49) LDHALDHB
SCHEMBL7444205 0.85 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 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-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