SCHEMBL6608541

SCHEMBL6608541

NC(=O)CCCCC1(c2ccccc2)CC(O)=C(SCCc2ccccc2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LDHA P00338 11/20 0.43
LDHB P07195 3/20 0.35
HSD11B1 P28845 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
FAAH O00519 1/20 0.33
CES1 P23141 1/20 0.33
ACHE P22303 1/20 0.33
SGMS1 Q86VZ5 1/20 0.33
SGMS2 Q8NHU3 1/20 0.33
EGFR P00533 1/20 0.33
NAAA Q02083 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL6604997 0.93 LDHA (0.44) LDHALDHBACHESGMS1SGMS2
SCHEMBL6608127 0.89 LDHA (0.45) LDHALDHBEGFRMAPTRXFP1
SCHEMBL6607600 0.87 MEN1 (0.45) LDHAEGFR
SCHEMBL6608585 0.87 LDHA (0.45) LDHALDHBHSD11B1CYP3A4CYP2C9
SCHEMBL6604912 0.87 LDHA (0.45) LDHALDHB
SCHEMBL6606657 0.87 LDHA (0.47) LDHALDHBCYP2C19EGFRMAPT
SCHEMBL6607939 0.86 LDHA (0.50) LDHALDHBEGFR
SCHEMBL6603852 0.86 LDHA (0.44) LDHALDHB
SCHEMBL6606915 0.83 LDHA (0.47) LDHALDHBEGFR
SCHEMBL6604923 0.83 LDHA (0.43) 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-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