SCHEMBL6604923

SCHEMBL6604923

CC(C)CCCC1(c2ccccc2)CC(O)=C(SCCc2ccccc2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LDHA P00338 9/20 0.43
AKT1 P31749 4/20 0.35
LDHB P07195 1/20 0.35
MMP9 P14780 1/20 0.34
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
EGFR P00533 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
SCHEMBL6610895 0.94 LDHA (0.47) LDHALDHBEGFR
SCHEMBL6607615 0.90 LDHA (0.44) LDHAAKT1LDHBMMP9EGFR
SCHEMBL6604912 0.87 LDHA (0.45) LDHALDHBMMP9
SCHEMBL6606447 0.87 LDHA (0.47) LDHALDHBEGFR
SCHEMBL6607939 0.86 LDHA (0.50) LDHALDHBEGFR
SCHEMBL6603852 0.86 LDHA (0.44) LDHALDHBMMP9
SCHEMBL6606915 0.85 LDHA (0.47) LDHALDHBEGFR
SCHEMBL6608127 0.85 LDHA (0.45) LDHALDHBLMNAEGFR
SCHEMBL6604997 0.84 LDHA (0.44) LDHALDHBEGFR
SCHEMBL6608866 0.84 LDHA (0.48) LDHALDHBEGFR

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-0729464-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729463-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