SCHEMBL5794846

SCHEMBL5794846

CCOC(=O)c1ccc2c(c1)N(CC(=O)OC(C)(C)C)C(=O)C(Cc1ccc(OC)cc1)S2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.45
KMT2A Q03164 2/20 0.41
PABPC1 P11940 2/20 0.41
APOBEC3A P31941 2/20 0.41
EIF4H Q15056 2/20 0.41
APOBEC3G Q9HC16 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 3/20 0.39
TP53 P04637 2/20 0.39
MCL1 Q07820 1/20 0.39
DRD2 P14416 1/20 0.38
POLB P06746 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL5745384 0.93 PPARG (0.49) PPARGKMT2APABPC1APOBEC3AEIF4H
SCHEMBL5746051 0.91 MCL1 (0.45) PPARGKMT2APABPC1APOBEC3AEIF4H
SCHEMBL1239775 0.90 PABPC1 (0.39) PPARGKMT2APABPC1APOBEC3AEIF4H
SCHEMBL12888485 0.90 PABPC1 (0.39) PPARGKMT2APABPC1APOBEC3AEIF4H
SCHEMBL1237123 0.90 PABPC1 (0.39) PPARGKMT2APABPC1APOBEC3AEIF4H
SCHEMBL1238384 0.90 PABPC1 (0.39) PPARGKMT2APABPC1APOBEC3AEIF4H
SCHEMBL5745589 0.86 MCL1 (0.47) PPARGGAAMCL1DRD2
SCHEMBL5746254 0.85 PPARG (0.45) PPARGKMT2AGAAMCL1ALDH1A1
SCHEMBL5747164 0.85 PPARG (0.52) PPARGKMT2AMEN1GAALMNA
Hydroxyamine SCHEMBL5797278 0.84 MCL1 (0.46) PPARGGAAMCL1DRD2

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