SCHEMBL5796641

SCHEMBL5796641

COc1ccc(CC2Sc3ccc(C(=O)NC(C)C)cc3N(CC(=O)NO)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
DRD2 P14416 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 1/20 0.40
GFER P55789 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 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
SCHEMBL5745464 0.93 GAA (0.41) GAAHDAC6HDAC3HDAC1HDAC7
SCHEMBL6846303 0.89 GAA (0.49) GAAHDAC6HDAC3HDAC1HDAC7
SCHEMBL5746105 0.88 PPARG (0.49) GAADRD2SMN1; SMN2PPARGGFER
SCHEMBL13899096 0.87 GAA (0.47) GAAHDAC6HDAC3HDAC1HDAC7
SCHEMBL6847051 0.85 PPARG (0.43) GAAHDAC6HDAC3HDAC1HDAC7
SCHEMBL5747025 0.84 PPARG (0.45) GAAHDAC6HDAC3HDAC1HDAC7
Hydrochloric Acid SCHEMBL5747287 0.84 PPARG (0.42) GAAHDAC6HDAC3HDAC1HDAC7
SCHEMBL5746821 0.82 LMNA (0.53) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL5746219 0.81 PPARG (0.40) GAAHDAC8SMN1; SMN2PPARGMAPT
SCHEMBL5745831 0.81 GAA (0.44) GAASMN1; SMN2PPARGMAPTALDH1A1

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