SCHEMBL4762089

SCHEMBL4762089

COc1ccc(S(=O)(=O)N(C(=O)C[C@@H](C)CCNC(=O)c2ccc(OC)c(OC)c2)C2CCCNCC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.42
ROCK2 O75116 3/20 0.40
PKN2 Q16513 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
TSHR P16473 1/20 0.38
REN P00797 1/20 0.38
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
SLC5A7 Q9GZV3 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
SCHEMBL4768710 0.87 PSEN1 (0.37) HPGDTSHRALDH1A1
SCHEMBL4762352 0.81 PSEN1 (0.39) TSHRTAS2R14
SCHEMBL4762088 0.81 TAS1R3 (0.39) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL4762084 0.81 TAS1R3 (0.39) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL6592501 0.77 MAPT (0.37) MAPT
SCHEMBL4762152 0.75 ROCK2 (0.39) ROCK2PKN2ALDH1A1TP53
SCHEMBL7431793 0.73 KCNA5 (0.38) HPGDALDH1A1TAS2R14
SCHEMBL6591798 0.72 MAPK1 (0.40) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL6591791 0.72 MAPK1 (0.40) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL4763001 0.72 PSEN1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed