SCHEMBL6686677

SCHEMBL6686677

COc1ccc(NCCNC(=O)C(CNC(=O)c2cc(C)c(OCc3ccccc3)c(C)c2)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.56
CTSK P43235 14/20 0.56
CTSL P07711 12/20 0.52

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
SCHEMBL6690048 0.91 CTSS (0.57) CTSSCTSKCTSL
SCHEMBL5843207 0.83 CTSL (0.72) CTSSCTSKCTSL
SCHEMBL5843217 0.83 CTSL (0.72) CTSSCTSKCTSL
SCHEMBL6690841 0.82 CTSL (0.65) CTSSCTSKCTSL
SCHEMBL6693219 0.81 CTSS (0.57) CTSSCTSKCTSL
SCHEMBL6685227 0.81 CTSS (0.55) CTSSCTSKCTSL
SCHEMBL6685224 0.80 CTSS (0.57) CTSSCTSKCTSL
SCHEMBL6693130 0.79 CTSL (0.61) CTSSCTSKCTSL
SCHEMBL5842663 0.78 CTSS (0.71) CTSSCTSKCTSL
SCHEMBL5842669 0.78 CTSS (0.71) CTSSCTSKCTSL

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
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed