SCHEMBL5745463

SCHEMBL5745463

C=CCONC(=O)CN1C(=O)C(Cc2ccc(OC)cc2)Sc2cc(C(=O)O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
HTT P42858 2/20 0.44
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.39
THRB P10828 2/20 0.39
APEX1 P27695 1/20 0.39
MCL1 Q07820 1/20 0.39
PPARG P37231 3/20 0.38
MAPT P10636 1/20 0.36
SRC P12931 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL5747286 0.93 GAA (0.47) GAAHTTALDH1A1LMNATHRB
SCHEMBL5745831 0.90 GAA (0.44) GAAHTTALDH1A1LMNAMCL1
SCHEMBL7447559 0.90 GAA (0.44) GAAHTTALDH1A1LMNAMCL1
SCHEMBL5747402 0.90 GAA (0.44) GAAHTTALDH1A1LMNATHRB
SCHEMBL6846303 0.80 GAA (0.49) GAAHTTLMNAMCL1PPARG
SCHEMBL5745194 0.80 MCL1 (0.50) GAAHTTALDH1A1THRBMCL1
SCHEMBL5746078 0.78 PPARG (0.53) GAAHTTALDH1A1LMNAMCL1
SCHEMBL13899096 0.78 GAA (0.47) GAAHTTLMNATHRBMCL1
SCHEMBL5747698 0.77 PPARG (0.45) GAAHTTALDH1A1LMNATHRB
SCHEMBL5745464 0.77 GAA (0.41) GAAHTTALDH1A1LMNAMCL1

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