SCHEMBL6607474

SCHEMBL6607474

COc1ccc(S(=O)(=O)N(C(=O)N(CCC(C)C)C(=O)OC(C)(C)C)C2CCCNC[C@@H]2O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.39
CAMK2A Q9UQM7 3/20 0.36
MMP3 P08254 1/20 0.36
CAMK2G Q13555 1/20 0.35
MMP13 P45452 6/20 0.35
MMP9 P14780 5/20 0.35
MMP1 P03956 4/20 0.35
HPGD P15428 1/20 0.35
RPLP1 P05386 1/20 0.34
RPLP0 P05388 1/20 0.34
RPS17 P08708 1/20 0.34
RPSA P08865 1/20 0.34
RPS2 P15880 1/20 0.34
RPL35A P18077 1/20 0.34
RPL7 P18124 1/20 0.34
RPL17 P18621 1/20 0.34
RPS4Y1 P22090 1/20 0.34
RPS3 P23396 1/20 0.34
RPS12 P25398 1/20 0.34
RPL13 P26373 1/20 0.34

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
SCHEMBL6605969 0.85 SLC6A2 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6605965 0.85 SLC6A2 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6605208 0.84 SLC6A2 (0.36)
SCHEMBL6605205 0.84 SLC6A2 (0.36)
SCHEMBL5971586 0.82 REN (0.32) MMP13RPLP1RPLP0RPS17RPSA
SCHEMBL6589031 0.80
SCHEMBL4768704 0.72 PSEN1 (0.39) CAMK2AMMP3CAMK2GMMP13MMP9
SCHEMBL6610801 0.71 MBTPS1 (0.34) ALDH1A1GAA
SCHEMBL6610800 0.71 MBTPS1 (0.34) ALDH1A1GAA
SCHEMBL4212772 0.70 CTSS (0.35) MMP13ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed