SCHEMBL5796548

SCHEMBL5796548

COc1ccc(CC2Sc3ccccc3N(CC(=O)O)C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.53
GSK3B P49841 1/20 0.51
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
PDPK1 O15530 1/20 0.48
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PPARG P37231 1/20 0.46
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.44
CYP3A4 P08684 2/20 0.44
CACNA1S Q13698 2/20 0.44
SLC22A1 O15245 1/20 0.44
CACNA1F O60840 1/20 0.44
ABCB11 O95342 1/20 0.44
ABCB1 P08183 1/20 0.44
HRH2 P25021 1/20 0.44

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
Hydroxyamine SCHEMBL5793019 0.98 MCL1 (0.51) MCL1GSK3BLMNAHTTPDPK1
SCHEMBL4972058 0.89 GSK3B (0.49) MCL1GSK3BLMNAHTTGAA
SCHEMBL5793022 0.88 PPARG (0.48) GSK3BLMNAHTTGAASMN1; SMN2
SCHEMBL5746821 0.88 LMNA (0.53) LMNAHTTSMN1; SMN2TSHRL3MBTL1
SCHEMBL5797144 0.86 GSK3B (0.47) GSK3BLMNAHTTSMN1; SMN2PPARG
SCHEMBL5744163 0.85 MCL1 (0.52) MCL1GSK3BPDPK1GAASMN1; SMN2
SCHEMBL21783138 0.83 MCL1 (0.67) MCL1GAAPPARGTSHRL3MBTL1
SCHEMBL5798276 0.83 MCL1 (0.50) MCL1GSK3BPDPK1GAASMN1; SMN2
SCHEMBL5745194 0.83 MCL1 (0.50) MCL1GSK3BHTTPDPK1GAA
SCHEMBL9035893 0.82 GSK3B (0.59) GSK3BLMNAHTTSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173427-B1 HYDROXAMIC ACID DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2006-04-05 EP disclosed
US-6713477-B1 1,4-BENZTHIAZINES OR BENZOXAZINES; MATRIX METALLOPROTEINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-30 US disclosed