SCHEMBL6685376

SCHEMBL6685376

COc1ccc(NCCNC(=O)C(CNC(=O)c2cccc(C)c2)c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 19/20 0.68
CTSS P25774 17/20 0.68
CTSK P43235 7/20 0.63

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
SCHEMBL6693111 0.97 CTSL (0.66) CTSLCTSSCTSK
SCHEMBL6685546 0.96 CTSL (0.63) CTSLCTSSCTSK
SCHEMBL6687289 0.95 CTSL (0.64) CTSLCTSSCTSK
SCHEMBL6687754 0.94 CTSL (0.69) CTSLCTSSCTSK
SCHEMBL6688722 0.94 CTSL (0.62) CTSLCTSSCTSK
SCHEMBL6686846 0.93 CTSL (0.65) CTSLCTSSCTSK
SCHEMBL6687700 0.92 CTSL (0.62) CTSLCTSSCTSK
SCHEMBL6690023 0.91 CTSL (0.62) CTSLCTSSCTSK
SCHEMBL6689610 0.91 CTSL (0.59) CTSLCTSSCTSK
SCHEMBL6686903 0.91 CTSL (0.59) CTSLCTSSCTSK

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