SCHEMBL6603220

SCHEMBL6603220

CCCCCC1(c2ccccc2)CC(O)=C(SCc2ccccc2)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LDHA P00338 10/20 0.46
LDHB P07195 2/20 0.37
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
MMP3 P08254 1/20 0.36
S100A4 P26447 1/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 2/20 0.36
EGFR P00533 1/20 0.34
CTSB P07858 1/20 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
SCHEMBL6604705 0.99 LDHA (0.45) LDHALDHBMMP2MMP9MMP3
SCHEMBL6604082 0.97 LDHA (0.47) LDHALDHBS100A4EGFRCTSB
SCHEMBL6603774 0.92 LDHA (0.48) LDHALDHBS100A4EGFR
SCHEMBL6606575 0.90 LDHA (0.41) LDHALDHBMMP2MMP9S100A4
SCHEMBL6604912 0.90 LDHA (0.45) LDHALDHBMMP2MMP9MMP3
SCHEMBL6603852 0.89 LDHA (0.44) LDHALDHBMMP2MMP9MMP3
SCHEMBL6607615 0.87 LDHA (0.44) LDHALDHBMMP9S100A4EGFR
SCHEMBL6606612 0.86 LDHA (0.49) LDHALDHBS100A4EGFR
SCHEMBL6608585 0.85 LDHA (0.45) LDHALDHBS100A4EGFR
SCHEMBL6605590 0.85 S100A4 (0.38) LDHAMMP2MMP9S100A4MMP8

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
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