SCHEMBL6605725

SCHEMBL6605725

CCCCCC1(c2ccccc2)CC(O)=C(Cc2ccc(CO)cc2)C(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.38
MMP2 P08253 3/20 0.35
MMP9 P14780 3/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 2/20 0.34
MMP13 P45452 2/20 0.34
EGFR P00533 1/20 0.33
CYP3A4 P08684 1/20 0.32
HSD11B1 P28845 1/20 0.32
CNR2 P34972 2/20 0.31
UTS2R Q9UKP6 1/20 0.31
CNR1 P21554 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6604499 0.93 MMP2 (0.40) LDHAMMP2MMP9MMP3MMP8
SCHEMBL6602951 0.80 GRM2 (0.41) MMP13CYP3A4HSD11B1CNR2CYP2C9
SCHEMBL6609678 0.79 LDHA (0.40) LDHAEGFRUTS2RCYP2C9MEN1
SCHEMBL6604489 0.77 LDHA (0.40) LDHAMMP9MMP3EGFRHSD11B1
SCHEMBL6603220 0.76 LDHA (0.46) LDHAMMP2MMP9MMP3MMP8
SCHEMBL9195240 0.75 LDHA (0.38) LDHAEGFRUTS2RL3MBTL1PRKCA
SCHEMBL6604912 0.75 LDHA (0.45) LDHAMMP2MMP9MMP3MMP8
SCHEMBL6604705 0.75 LDHA (0.45) LDHAMMP2MMP9MMP3MMP8
SCHEMBL6603852 0.74 LDHA (0.44) LDHAMMP2MMP9MMP3MMP8
SCHEMBL6603192 0.73 LDHA (0.39) LDHAEGFRUTS2RL3MBTL1

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 12 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 claimed
EP-1142887-A1 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents PARKE, DAVIS & COMPANY (US) 2001-10-10 EP claimed
US-5840751-A ADMINISTERING IN THE TREATMENT OF INFECTION OR DISEASE CAUSED BY A RETROVIRUS WARNER-LAMBERT COMPANY (US) 1998-11-24 US claimed
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-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