SCHEMBL6605035

SCHEMBL6605035

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LDHA P00338 4/20 0.42
EGFR P00533 1/20 0.38
UTS2R Q9UKP6 12/20 0.38
HSD11B1 P28845 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
AKT1 P31749 1/20 0.33
LDHB P07195 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
SCHEMBL6602959 0.82 LDHA (0.41) LDHAEGFRUTS2R
SCHEMBL6608000 0.81 LDHA (0.53) LDHAEGFRLDHB
SCHEMBL6604489 0.81 LDHA (0.40) LDHAEGFRUTS2RHSD11B1CYP2C9
SCHEMBL6606198 0.81 LDHA (0.39) LDHAEGFRUTS2R
SCHEMBL6608866 0.80 LDHA (0.48) LDHAEGFRLDHB
SCHEMBL6608692 0.79 LDHA (0.47) LDHAEGFRHSD11B1CYP3A4CYP2C9
SCHEMBL6610895 0.79 LDHA (0.47) LDHAEGFRLDHB
SCHEMBL6604273 0.79 LDHA (0.39) LDHAEGFRUTS2R
SCHEMBL6606239 0.78 EGFR (0.36) LDHAEGFRUTS2RHSD11B1CYP3A4
SCHEMBL6602958 0.78 LDHA (0.38) LDHAEGFRUTS2RAKT1

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