SCHEMBL4044230

SCHEMBL4044230

CCCC(NC(=O)Oc1ccc2ccccc2c1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 17/20 0.40
CTSK P43235 17/20 0.40
CTSS P25774 13/20 0.40
CTSB P07858 6/20 0.40
CTSV O60911 2/20 0.40
ELOVL6 Q9H5J4 1/20 0.38

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
SCHEMBL4046799 0.94 ALDH1A1 (0.39) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4042234 0.91 ELOVL6 (0.39) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4051941 0.90 ELOVL6 (0.38) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4045026 0.89 CTSK (0.36) CTSLCTSKCTSSCTSB
SCHEMBL4047535 0.89 MC4R (0.38) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4043984 0.89 CTSK (0.39) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4044872 0.89 CTSK (0.44) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4046503 0.88 CTSL (0.37) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4046656 0.88 CTSK (0.40) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4044711 0.87 CTSK (0.47) CTSLCTSKCTSSCTSBCTSV

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