SCHEMBL6602958

SCHEMBL6602958

Cc1ccccc1CC1=C(O)CC(CCC(C)C)(c2ccccc2)OC1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.38
EGFR P00533 1/20 0.33
UTS2R Q9UKP6 6/20 0.32
GPR55 Q9Y2T6 3/20 0.32
CNR2 P34972 2/20 0.32
AKT1 P31749 1/20 0.31
FFAR1 O14842 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL9027786 0.90 LDHA (0.37) LDHAEGFRUTS2RAKT1
SCHEMBL6604227 0.88 LDHA (0.46) LDHAEGFRUTS2R
SCHEMBL6603727 0.88 LDHA (0.37) LDHAEGFRUTS2RGPR55
SCHEMBL6604489 0.86 LDHA (0.40) LDHAEGFRUTS2RAKT1
SCHEMBL6603974 0.86 ALDH1A1 (0.38) LDHAEGFRUTS2RGPR55CNR2
SCHEMBL6604662 0.82 LDHA (0.36) LDHAEGFRUTS2RSLC6A2SLC6A4
SCHEMBL6606198 0.81 LDHA (0.39) LDHAEGFRUTS2R
SCHEMBL6606237 0.79 LDHA (0.43) LDHAGPR55CNR2FFAR1
SCHEMBL9027789 0.78 LDHA (0.38) LDHAEGFRUTS2RAKT1
SCHEMBL6605035 0.78 LDHA (0.42) 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 7 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-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
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