SCHEMBL6603206

SCHEMBL6603206

O=C1OC(CC2CCCC2)(c2ccccc2)CC(O)=C1SCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LDHA P00338 11/20 0.45
LDHB P07195 3/20 0.36
EPHX2 P34913 1/20 0.34
EGFR P00533 1/20 0.34
OPRM1 P35372 6/20 0.33
OPRD1 P41143 5/20 0.33
OPRK1 P41145 5/20 0.33
OPRL1 P41146 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL6604207 0.90 LDHA (0.46) LDHALDHBEGFROPRM1OPRL1
SCHEMBL7505661 0.84 LDHA (0.47) LDHALDHBEGFRALDH1A1
SCHEMBL6607939 0.83 LDHA (0.50) LDHALDHBEGFROPRM1OPRL1
SCHEMBL6606915 0.81 LDHA (0.47) LDHALDHBEGFRALDH1A1
SCHEMBL6608675 0.81 LDHA (0.38) LDHAEPHX2EGFROPRM1OPRD1
SCHEMBL6606657 0.80 LDHA (0.47) LDHALDHBEGFR
SCHEMBL6606447 0.80 LDHA (0.47) LDHALDHBEGFRALDH1A1
SCHEMBL6608127 0.78 LDHA (0.45) LDHALDHBEGFRALDH1A1
SCHEMBL6610895 0.78 LDHA (0.47) LDHALDHBEGFRALDH1A1
SCHEMBL6604912 0.78 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 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