SCHEMBL7419753

SCHEMBL7419753

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Nc1nncs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.59
▸ KLK7 P49862 2/20 0.55
▸ KLK5 Q9Y337 2/20 0.55
▸ HDAC6 Q9UBN7 3/20 0.54
▸ HDAC3 O15379 2/20 0.54
▸ HDAC4 P56524 2/20 0.54
▸ HDAC1 Q13547 2/20 0.54
▸ HDAC7 Q8WUI4 2/20 0.54
▸ HDAC2 Q92769 2/20 0.54
▸ HDAC10 Q969S8 2/20 0.54
▸ HDAC11 Q96DB2 2/20 0.54
▸ HDAC8 Q9BY41 2/20 0.54
▸ HDAC9 Q9UKV0 2/20 0.54
▸ HDAC5 Q9UQL6 2/20 0.54
▸ SIRT1 Q96EB6 5/20 0.50
▸ SIRT2 Q8IXJ6 5/20 0.50
▸ SIRT3 Q9NTG7 3/20 0.50
▸ SIRT5 Q9NXA8 1/20 0.50
▸ ITGB3 P05106 1/20 0.50
▸ ITGA2B P08514 1/20 0.50

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
SCHEMBL7421060 0.86 HDAC6 (0.68) MAPTKLK7KLK5HDAC6HDAC3
SCHEMBL9504309 0.83 MAPT (0.65) MAPTKLK7KLK5SIRT1SIRT2
SCHEMBL30902907 0.83 MAPT (0.65) MAPTKLK7KLK5SIRT1SIRT2
SCHEMBL3958560 0.82 HDAC6 (0.71) MAPTHDAC6HDAC3HDAC4HDAC1
SCHEMBL7383594 0.82 ANPEP (0.65) MAPTHDAC6HDAC3HDAC4HDAC1
SCHEMBL17133648 0.82 MAPT (0.64) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL7316805 0.82 MAPT (0.64) MAPTKLK7KLK5SIRT1SIRT2
SCHEMBL7379924 0.82 ANPEP (0.68) MAPTKLK7KLK5SIRT1SIRT2
SCHEMBL5329050 0.82 HDAC1 (0.70) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL17309872 0.81 MAPT (0.68) MAPTKLK7KLK5ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 — — US disclosed
EP-1019386-A1 REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-19 — — EP disclosed
WO-1998038179-A1 REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-09-03 — — WO disclosed
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