SCHEMBL6606948

SCHEMBL6606948

O=C1OC(COc2ccccc2)(c2ccccc2)CC(O)=C1SCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 11/20 0.47
LDHB P07195 4/20 0.37
PAX8 Q06710 1/20 0.37
POLB P06746 1/20 0.36
EGFR P00533 1/20 0.35
S100A4 P26447 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DAO P14920 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RIPK1 Q13546 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
SCHEMBL6606612 0.82 LDHA (0.49) LDHALDHBEGFRS100A4DAO
SCHEMBL6603774 0.81 LDHA (0.48) LDHALDHBEGFRS100A4ALDH1A1
SCHEMBL6604327 0.80 LDHA (0.47) LDHALDHBPOLBEGFRS100A4
SCHEMBL6604082 0.79 LDHA (0.47) LDHALDHBEGFRS100A4DAO
SCHEMBL6603220 0.78 LDHA (0.46) LDHALDHBEGFRS100A4
SCHEMBL6604207 0.78 LDHA (0.46) LDHALDHBEGFRS100A4ALDH1A1
SCHEMBL6608866 0.78 LDHA (0.48) LDHALDHBPOLBEGFRS100A4
SCHEMBL6604202 0.77 LDHA (0.59) LDHALDHBS100A4DAO
SCHEMBL6604705 0.77 LDHA (0.45) LDHALDHBEGFRS100A4MEN1
SCHEMBL6608585 0.77 LDHA (0.45) LDHALDHBPOLBEGFRS100A4

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-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-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