SCHEMBL6608692

SCHEMBL6608692

CC(C)CCC1(c2ccccc2)CC(O)=C(SC(c2ccccc2)c2ccccc2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LDHA P00338 14/20 0.47
LDHB P07195 6/20 0.38
EGFR P00533 1/20 0.34
HSD11B1 P28845 4/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL6606212 0.87 LDHA (0.44) LDHALDHBEGFRHSD11B1OPRM1
SCHEMBL6608000 0.85 LDHA (0.53) LDHALDHBEGFR
SCHEMBL6608866 0.83 LDHA (0.48) LDHALDHBEGFR
SCHEMBL6610895 0.82 LDHA (0.47) LDHALDHBEGFR
SCHEMBL8342606 0.81 LDHA (0.47) LDHALDHBEGFR
SCHEMBL6606893 0.81 LDHA (0.56) LDHALDHB
SCHEMBL6606753 0.80 LDHA (0.56) LDHALDHB
SCHEMBL6607008 0.79 LDHA (0.54) LDHALDHB
SCHEMBL6605035 0.79 LDHA (0.42) LDHALDHBEGFRHSD11B1CYP3A4
SCHEMBL6607582 0.79 LDHA (0.42) 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 8 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
WO-1995014011-A2 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed