SCHEMBL6604207

SCHEMBL6604207

O=C1OC(CC2CCCC2)(c2ccccc2)CC(O)=C1SCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LDHA P00338 11/20 0.46
CTSB P07858 3/20 0.37
LDHB P07195 3/20 0.37
EGFR P00533 1/20 0.34
S100A4 P26447 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PPARG P37231 1/20 0.32
DAO P14920 1/20 0.32

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
SCHEMBL6603206 0.90 LDHA (0.45) LDHALDHBEGFROPRM1OPRL1
SCHEMBL7438682 0.87 LDHA (0.43) LDHALDHBEGFRS100A4OPRM1
SCHEMBL6608675 0.81 LDHA (0.38) LDHAEGFROPRM1OPRL1ALDH1A1
SCHEMBL6606612 0.81 LDHA (0.49) LDHALDHBEGFRS100A4DAO
SCHEMBL6603774 0.80 LDHA (0.48) LDHALDHBEGFRS100A4ALDH1A1
SCHEMBL6604327 0.79 LDHA (0.47) LDHALDHBEGFRS100A4DAO
SCHEMBL6606948 0.78 LDHA (0.47) LDHALDHBEGFRS100A4ALDH1A1
SCHEMBL6604082 0.78 LDHA (0.47) LDHACTSBLDHBEGFRS100A4
SCHEMBL6608866 0.77 LDHA (0.48) LDHALDHBEGFRS100A4
SCHEMBL6603220 0.77 LDHA (0.46) LDHACTSBLDHBEGFRS100A4

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