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SCHEMBL4043513

SCHEMBL4043513

CC(=O)N1CCCCC1C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)Oc1ccc(-c2ccccc2)s1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 14/20 0.47
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CTSL P07711 7/20 0.37
▸ CTSS P25774 6/20 0.37
▸ CTSB P07858 2/20 0.36
▸ VHL P40337 1/20 0.36
▸ ACE2 Q9BYF1 1/20 0.34
▸ PSMB9 P28065 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33

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
SCHEMBL4046545 0.98 CTSK (0.47) CTSKMEN1KMT2ACTSLCTSS
SCHEMBL4051326 0.90 CTSK (0.49) CTSKMEN1KMT2ACTSLCTSS
SCHEMBL4051385 0.90 CTSK (0.49) CTSKMEN1KMT2ACTSLCTSS
SCHEMBL4041291 0.88 CTSK (0.51) CTSKMEN1KMT2ACTSSCTSB
SCHEMBL4049584 0.88 CTSK (0.51) CTSKCTSLCTSSCTSBACE2
SCHEMBL4042239 0.87 CTSK (0.49) CTSKMEN1KMT2ACTSLCTSS
SCHEMBL4044729 0.87 CTSK (0.49) CTSKCTSLCTSSCTSB
SCHEMBL4042442 0.87 CTSK (0.49) CTSKMEN1KMT2ACTSLCTSS
SCHEMBL4043033 0.86 CTSK (0.48) CTSKMEN1KMT2ACTSLCTSS
SCHEMBL4043104 0.86 CTSK (0.47) CTSKMEN1KMT2ACTSLCTSS

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 — — EP claimed