SCHEMBL5745194

SCHEMBL5745194

COC(=O)c1ccc2c(c1)SC(Cc1ccc(OC)cc1)C(=O)N2CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.50
GAA P10253 1/20 0.47
PPARG P37231 4/20 0.43
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.39
ALOX12 P18054 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
HSD17B3 P37058 1/20 0.38
GSK3B P49841 1/20 0.38
HTT P42858 1/20 0.38
PDPK1 O15530 1/20 0.38
CACNA1S Q13698 1/20 0.37

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
SCHEMBL5746254 0.88 PPARG (0.45) MCL1GAAPPARGKMT2AALDH1A1
SCHEMBL5747286 0.85 GAA (0.47) MCL1GAAPPARGKMT2AALDH1A1
SCHEMBL5796548 0.83 MCL1 (0.53) MCL1GAAPPARGALDH1A1THRB
Hydroxyamine SCHEMBL5793019 0.82 MCL1 (0.51) MCL1GAAPPARGALDH1A1THRB
Hydroxyamine SCHEMBL5797278 0.82 MCL1 (0.46) MCL1GAAPPARGHSD17B3GSK3B
Hydroxyamine SCHEMBL5794204 0.82 MCL1 (0.46) MCL1GAAPPARGKMT2AALDH1A1
SCHEMBL5744163 0.80 MCL1 (0.52) MCL1GAAPPARGKMT2AALDH1A1
SCHEMBL5745464 0.80 GAA (0.41) MCL1GAAPPARGKMT2AALDH1A1
SCHEMBL5745463 0.80 GAA (0.53) MCL1GAAPPARGALDH1A1THRB
SCHEMBL5747345 0.79 PPARG (0.54) MCL1GAAPPARGKMT2AALDH1A1

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