SCHEMBL4638362

SCHEMBL4638362

CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1F)CCCN(C(=O)O)C2CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.43
CTSL P07711 4/20 0.43
CTSB P07858 1/20 0.43
CA1 P00915 1/20 0.40
HDAC1 Q13547 5/20 0.40
HDAC4 P56524 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
ELANE P08246 1/20 0.40
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
CTSS P25774 2/20 0.38
CASP1 P29466 1/20 0.38
HDAC2 Q92769 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL4638357 0.89 CTSL (0.43) CTSKCTSLCTSBCA1HDAC1
SCHEMBL5285679 0.81 CTSK (0.46) CTSKCTSLCTSBCA1HDAC1
SCHEMBL4929374 0.76 CTSL (0.43) CTSKCTSLCTSBCA1HDAC1
SCHEMBL4638371 0.72 CTSK (0.39) CTSKCTSLCTSBCA1ELANE
SCHEMBL5285674 0.71 CTSL (0.47) CTSKCTSLCTSBCA1HDAC1
SCHEMBL150314 0.68 CA1 (0.54) CTSKCTSLCTSBCA1HDAC1
SCHEMBL13043797 0.68 CA1 (0.62) CTSKCTSLCTSBCA1FNTA
SCHEMBL22122396 0.67 CA1 (0.57) CTSKCTSLCTSBCA1FNTA
SCHEMBL22122399 0.67 CA1 (0.57) CTSKCTSLCTSBCA1FNTA
SCHEMBL4487966 0.67 CA1 (0.59) CTSKCTSLCTSBCA1FNTA

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-1951712-A2 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-08-06 EP disclosed
WO-2007059952-A2 1-BENZAZEPINE-3-SULFONYLAMINO-2-PYRRLORIDONES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2007-05-31 WO disclosed