SCHEMBL6605274

SCHEMBL6605274

O=C1OC(c2ccccc2)(c2ccccc2)CC(O)=C1Cc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.42
LDHB P07195 3/20 0.42
NQO1 P15559 4/20 0.41
TDP1 Q9NUW8 1/20 0.39
CTRC Q99895 1/20 0.39
P2RX3 P56373 2/20 0.37
CMA1 P23946 1/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
CETP P11597 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
IDH1 O75874 1/20 0.36

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
SCHEMBL6609876 0.82 LDHA (0.55) LDHALDHB
SCHEMBL6604456 0.80 LDHA (0.48) LDHALDHBNQO1IDH1
SCHEMBL7437581 0.74 LDHA (0.44) LDHALDHB
SCHEMBL6605852 0.74 LDHA (0.41) LDHALDHBTDP1KMT2A
SCHEMBL9026058 0.73 LDHA (0.43) LDHALDHBMEN1KMT2A
SCHEMBL6604881 0.73 LDHA (0.36) LDHALDHB
SCHEMBL6604488 0.68 LDHA (0.52) LDHALDHBMAPT
SCHEMBL6603192 0.67 LDHA (0.39) LDHA
SCHEMBL6602527 0.65 LDHA (0.66) LDHALDHB
SCHEMBL6604240 0.64 LDHA (0.52) LDHALDHBKMT2A

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-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
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