SCHEMBL5746078

SCHEMBL5746078

COC(=O)CN1C(=O)C(Cc2ccc(OC)cc2)Sc2ccc(C(=O)O)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.53
GAA P10253 2/20 0.51
MCL1 Q07820 1/20 0.43
HTT P42858 1/20 0.41
DRD2 P14416 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
GFER P55789 1/20 0.38
HSD17B3 P37058 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL5747164 0.92 PPARG (0.52) PPARGGAAMCL1HTTDRD2
SCHEMBL6846303 0.90 GAA (0.49) PPARGGAAMCL1HTTDRD2
SCHEMBL5745145 0.88 PPARG (0.55) PPARGGAAMCL1HTTHSD17B3
SCHEMBL13899096 0.88 GAA (0.47) PPARGGAAMCL1HTTDRD2
SCHEMBL6847052 0.87 PPARG (0.54) PPARGGAAMCL1HTTHSD17B3
SCHEMBL5744982 0.84 PPARG (0.51) PPARGGAAMCL1SMN1; SMN2LMNA
SCHEMBL5746105 0.82 PPARG (0.49) PPARGGAAMCL1DRD2GFER
SCHEMBL5747345 0.81 PPARG (0.54) PPARGGAAMCL1HTTHSD17B3
SCHEMBL5745589 0.81 MCL1 (0.47) PPARGGAAMCL1HTTDRD2
SCHEMBL5747320 0.81 PPARG (0.50) PPARGGAAMCL1HTTHSD17B3

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 4 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
EP-1173427-A1 HYDROXAMIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-01-23 EP disclosed
WO-2000063197-A1 HYDROXAMIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-10-26 WO disclosed