SCHEMBL5746559

SCHEMBL5746559

COc1ccc(CC2Sc3cc(O)ccc3N(CC(=O)NO)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.51
MCL1 Q07820 1/20 0.43
HSD17B3 P37058 1/20 0.42
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 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

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
SCHEMBL5745179 0.90 THRB (0.47) PPARGMCL1HSD17B3GAALMNA
SCHEMBL5747698 0.89 PPARG (0.45) PPARGMCL1HSD17B3GAALMNA
SCHEMBL5746821 0.87 LMNA (0.53) LMNAHTTTSHRHDAC3HDAC4
SCHEMBL5747025 0.85 PPARG (0.45) PPARGMCL1HSD17B3GAALMNA
SCHEMBL5745464 0.85 GAA (0.41) PPARGMCL1HSD17B3GAALMNA
SCHEMBL6847542 0.85 BMP1 (0.40) PPARGMCL1GAALMNAHTT
SCHEMBL6847051 0.84 PPARG (0.43) PPARGMCL1HSD17B3GAALMNA
SCHEMBL5746552 0.84 HIF1A (0.45) MCL1LMNAHTTMEN1KMT2A
SCHEMBL6846303 0.83 GAA (0.49) PPARGMCL1HSD17B3GAALMNA
Hydrochloric Acid SCHEMBL5747287 0.83 PPARG (0.42) PPARGMCL1HSD17B3GAALMNA

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