SCHEMBL4044504

SCHEMBL4044504

CC(C)CC(NC(=O)Oc1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2C(=O)C(N)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.48
CTSL P07711 8/20 0.38
CTSS P25774 7/20 0.38
CTSB P07858 3/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP8 Q6V1X1 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
SCHEMBL4041776 0.99 CTSK (0.47) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4042518 0.91 CTSK (0.50) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4043104 0.90 CTSK (0.47) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4053213 0.90 CTSK (0.49) CTSKCTSLCTSSCTSB
SCHEMBL4042551 0.90 CTSK (0.47) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4041942 0.89 CTSK (0.49) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4049584 0.89 CTSK (0.51) CTSKCTSLCTSSCTSB
SCHEMBL4048116 0.89 CTSK (0.48) CTSKCTSLCTSSCTSB
SCHEMBL4048373 0.89 CTSK (0.52) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4045405 0.89 CTSK (0.53) CTSKCTSSCTSB

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