SCHEMBL11570840

SCHEMBL11570840

CCC(C)C(C(=O)O)N(C(=O)OC(C)(C)C)C(=O)C(NC(=O)C(N)C(C)O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.36
▸ CTSK P43235 2/20 0.36
▸ PSENEN Q9NZ42 1/20 0.34
▸ CTSD P07339 4/20 0.32
▸ REN P00797 1/20 0.31
▸ ENPEP Q07075 2/20 0.30
▸ BACE1 P56817 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
SCHEMBL10481476 0.83 CTSS (0.35) CTSSCTSK
SCHEMBL11661955 0.76 CTSS (0.38) CTSSCTSK
SCHEMBL28760575 0.76 CTSS (0.38) CTSSCTSK
SCHEMBL11661957 0.76 CTSS (0.38) CTSSCTSK
SCHEMBL11568492 0.73 BACE1 (0.36) PSENENRENBACE1
SCHEMBL7439978 0.73 CTSS (0.52) CTSSCTSKPSENENCTSD
SCHEMBL15246059 0.72 CTSS (0.41) CTSSCTSKPSENEN
SCHEMBL15246006 0.72 CTSS (0.41) CTSSCTSKPSENEN
SCHEMBL22068617 0.72 CTSS (0.41) CTSSCTSKPSENEN
SCHEMBL11567549 0.71 ALDH1A1 (0.49) CTSDENPEP

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
US-4146614-A TREATMENT OF SCHIZOPHRENIA STATE OF MICHIGAN (US) 1979-03-27 — — US disclosed
Send feedback