SCHEMBL4043552

SCHEMBL4043552

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-])Oc1ccoc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.40
CTSL P07711 4/20 0.40
CTSV O60911 2/20 0.40
CTSK P43235 7/20 0.32
CTSB P07858 1/20 0.31
F2RL1 P55085 1/20 0.30

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
SCHEMBL4052113 0.90 CTSK (0.41) CTSSCTSLCTSKCTSB
SCHEMBL4042622 0.90 CTSS (0.40) CTSSCTSLCTSVCTSKCTSB
SCHEMBL4044073 0.89 CTSK (0.33) CTSK
SCHEMBL4046220 0.89 CTSK (0.36) CTSSCTSLCTSK
SCHEMBL6238379 0.88 CTSL (0.48) CTSSCTSLCTSVCTSKCTSB
SCHEMBL4047132 0.88 CTSS (0.39) CTSSCTSLCTSVCTSKCTSB
SCHEMBL4047616 0.85 CTSL (0.46) CTSSCTSLCTSVCTSKCTSB
SCHEMBL4043598 0.83 CTSS (0.37) CTSSCTSLCTSVCTSKCTSB
SCHEMBL4043817 0.83 CTSL (0.39) CTSSCTSLCTSVCTSK
SCHEMBL4050085 0.82 CTSS (0.40) CTSSCTSLCTSVCTSKCTSB

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