SCHEMBL6606825

SCHEMBL6606825

Cc1ccc(S(=O)(=O)Sc2cc(C)ccc2C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.51
BCHE P06276 4/20 0.43
ACHE P22303 4/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
G6PD P11413 2/20 0.41
TRPA1 O75762 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
NLRP3 Q96P20 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 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
SCHEMBL6296938 0.83 DNMT1 (0.47) DNMT1BCHEACHELMNAGAA
SCHEMBL6296568 0.79 KMT2A (0.44) DNMT1BCHEACHELMNAGAA
SCHEMBL6296294 0.75 DNMT1 (0.39) DNMT1BCHEACHELMNAGAA
SCHEMBL6363100 0.74 ALDH1A1 (0.39) DNMT1LMNAGAAALDH1A1NLRP3
SCHEMBL6296223 0.73 ALDH1A1 (0.48) DNMT1LMNAGAAALDH1A1CA2
SCHEMBL15035948 0.73 LMNA (0.54) LMNAGAATRPA1CHRM1SLC6A2
SCHEMBL11290816 0.70 DNMT1 (0.60) DNMT1BCHEACHELMNAGAA
SCHEMBL3917191 0.69 DNMT1 (1.00) DNMT1BCHEACHEGAAALDH1A1
SCHEMBL10330808 0.67 DNMT1 (0.55) DNMT1BCHEACHEGAAALDH1A1
SCHEMBL2038233 0.66 DNMT1 (0.64) DNMT1BCHEACHEGAAALDH1A1

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