SCHEMBL6603852

SCHEMBL6603852

CCCCCCC1(c2ccccc2)CC(O)=C(SCCc2ccccc2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LDHA P00338 4/20 0.44
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 2/20 0.37
MMP13 P45452 2/20 0.37
CETP P11597 1/20 0.36
PRKCA P17252 4/20 0.36
LDHB P07195 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
SCHEMBL6604912 0.99 LDHA (0.45) LDHAMMP2MMP9MMP3MMP8
SCHEMBL6606915 0.91 LDHA (0.47) LDHALDHB
SCHEMBL6604705 0.90 LDHA (0.45) LDHAMMP2MMP9MMP3MMP8
SCHEMBL6606643 0.89 LDHA (0.41) LDHAMMP2MMP9MMP13PRKCA
SCHEMBL6603220 0.89 LDHA (0.46) LDHAMMP2MMP9MMP3MMP8
SCHEMBL6607939 0.87 LDHA (0.50) LDHALDHB
SCHEMBL6604997 0.87 LDHA (0.44) LDHALDHB
SCHEMBL6608541 0.86 LDHA (0.43) LDHALDHB
SCHEMBL6604923 0.86 LDHA (0.43) LDHAMMP9LDHB
SCHEMBL6608127 0.86 LDHA (0.45) 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 10 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
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