SCHEMBL11570820

SCHEMBL11570820

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.56
▸ CTSK P43235 2/20 0.56
▸ PSENEN Q9NZ42 1/20 0.55
▸ BACE1 P56817 1/20 0.43
▸ CTSD P07339 2/20 0.43
▸ REN P00797 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ CA2 P00918 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
SCHEMBL11570829 1.00 CTSS (0.56) CTSSCTSKPSENENBACE1CTSD
SCHEMBL8492297 0.95 CTSS (0.61) CTSSCTSKPSENENCTSDALDH1A1
SCHEMBL8492292 0.95 CTSS (0.61) CTSSCTSKPSENENCTSDALDH1A1
SCHEMBL31139338 0.93 CTSS (0.64) CTSSCTSKPSENENBACE1CTSD
SCHEMBL31139352 0.93 CTSS (0.64) CTSSCTSKPSENENBACE1CTSD
SCHEMBL4122350 0.91 CTSS (0.64) CTSSCTSKPSENENALDH1A1CA2
SCHEMBL4122354 0.91 CTSS (0.64) CTSSCTSKPSENENALDH1A1CA2
SCHEMBL22068618 0.89 CTSS (0.65) CTSSCTSKPSENENBACE1CTSD
SCHEMBL22068619 0.89 CTSS (0.65) CTSSCTSKPSENENBACE1CTSD
SCHEMBL11405307 0.89 CTSS (0.68) CTSSCTSKPSENENALDH1A1CA2

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
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