SCHEMBL5747698

SCHEMBL5747698

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.45
MCL1 Q07820 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B3 P37058 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CACNA1S Q13698 1/20 0.38
THRB P10828 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
SCHEMBL5747345 0.90 PPARG (0.54) PPARGMCL1GAALMNAHTT
SCHEMBL5745179 0.89 THRB (0.47) PPARGMCL1GAALMNAHTT
SCHEMBL5746559 0.89 PPARG (0.51) PPARGMCL1GAALMNAHTT
SCHEMBL5746821 0.86 LMNA (0.53) LMNAHTTSMN1; SMN2
SCHEMBL5745464 0.84 GAA (0.41) PPARGMCL1GAALMNAHTT
SCHEMBL6847542 0.84 BMP1 (0.40) PPARGMCL1GAALMNAHTT
Hydrochloric Acid SCHEMBL5747287 0.84 PPARG (0.42) PPARGMCL1GAALMNAHTT
SCHEMBL6847051 0.83 PPARG (0.43) PPARGMCL1GAALMNAHTT
SCHEMBL5746552 0.83 HIF1A (0.45) MCL1LMNAHTTSMN1; SMN2THRB
SCHEMBL5747025 0.83 PPARG (0.45) PPARGMCL1GAALMNAHTT

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