SCHEMBL6846303

SCHEMBL6846303

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
MCL1 Q07820 1/20 0.42
PPARG P37231 1/20 0.42
MEP1B Q16820 4/20 0.41
MEP1A Q16819 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.39
DRD2 P14416 1/20 0.39
HSD17B3 P37058 1/20 0.39

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
SCHEMBL13899096 0.97 GAA (0.47) GAAMCL1PPARGMEP1BMEP1A
SCHEMBL5746078 0.90 PPARG (0.53) GAAMCL1PPARGHDAC6HDAC3
SCHEMBL5745760 0.90 MCL1 (0.46) GAAMCL1LMNASMN1; SMN2
SCHEMBL1236963 0.89 SMN1; SMN2 (0.40) GAAMEP1BMEP1AHDAC6HDAC3
SCHEMBL12888487 0.89 SMN1; SMN2 (0.40) GAAMEP1BMEP1AHDAC6HDAC3
SCHEMBL12888440 0.89 SMN1; SMN2 (0.40) GAAMEP1BMEP1AHDAC6HDAC3
SCHEMBL12888484 0.89 SMN1; SMN2 (0.40) GAAMEP1BMEP1AHDAC6HDAC3
SCHEMBL5796641 0.89 GAA (0.41) GAAMCL1PPARGHDAC6HDAC3
SCHEMBL6847051 0.89 PPARG (0.43) GAAMCL1PPARGHDAC6HDAC3
SCHEMBL1237061 0.88 SMN1; SMN2 (0.40) GAAMEP1BMEP1AHDAC6HDAC3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713477-B1 1,4-BENZTHIAZINES OR BENZOXAZINES; MATRIX METALLOPROTEINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-30 US disclosed