SCHEMBL7565668

SCHEMBL7565668

COc1cc(OC)cc(C(=O)NC(CC2CCCCC2)C(=O)N(C)C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.48
CTSS P25774 11/20 0.48
CTSK P43235 7/20 0.48
CTSB P07858 4/20 0.48
GRN P28799 1/20 0.47
SORT1 Q99523 1/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
CTSH P09668 1/20 0.42

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
SCHEMBL7539325 0.90 CTSS (0.54) CTSLCTSSCTSKCTSBMEN1
SCHEMBL5525335 0.84 CTSL (0.69) CTSLCTSSCTSKCTSBGRN
SCHEMBL5530441 0.84 CTSL (0.69) CTSLCTSSCTSKCTSBGRN
SCHEMBL7539158 0.83 CTSL (0.55) CTSLCTSSCTSKCTSBGRN
SCHEMBL5518263 0.83 CTSL (0.58) CTSLCTSSCTSKCTSBGRN
SCHEMBL5525443 0.82 CTSL (0.55) CTSLCTSSCTSKCTSB
SCHEMBL5527644 0.82 CTSS (0.72) CTSLCTSSCTSKCTSBGRN
SCHEMBL5528488 0.82 CTSL (0.62) CTSLCTSSCTSKCTSBGRN
SCHEMBL5534137 0.82 CTSL (0.49) CTSLCTSSCTSKCTSBGRN
SCHEMBL7531795 0.82 CTSL (0.69) CTSLCTSSCTSKCTSBGRN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP disclosed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed