SCHEMBL4042904

SCHEMBL4042904

CC(C)CC(NC(=O)Oc1cc2ccccc2s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.39
CTSL P07711 4/20 0.35
CTSS P25774 3/20 0.35
CTSB P07858 2/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
SMYD3 Q9H7B4 2/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4040719 0.93 SMYD3 (0.35) CTSKCTSSCTSBSMYD3ALDH1A1
SCHEMBL4045303 0.91 CTSK (0.37) CTSKCTSLCTSSCTSBSMYD3
SCHEMBL4044312 0.90 CTSK (0.40) CTSKMMP1MMP3MMP9TAS1R3
SCHEMBL4050147 0.89 CTSK (0.40) CTSKCTSLCTSSCTSBMMP1
SCHEMBL4041363 0.88 CTSK (0.42) CTSKCTSLCTSSCTSBMMP1
SCHEMBL4044003 0.88 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4037997 0.88 CTSK (0.40) CTSKCTSLCTSSCTSBTAS1R3
SCHEMBL4043196 0.88 CTSK (0.39) CTSKCTSLCTSSCTSBSMYD3
SCHEMBL4050975 0.87 CTSK (0.43) CTSKCTSLCTSSCTSBMMP1
SCHEMBL4040754 0.87 CTSK (0.40) CTSKCTSLCTSSCTSB

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