SCHEMBL11586504

SCHEMBL11586504

CC(=O)N(C(=O)C(NC(=O)C(N)C(C)O)C(C)C)C(CC(C)C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ BACE1 P56817 3/20 0.32
▸ CTSD P07339 2/20 0.32
▸ SLC7A5 Q01650 1/20 0.32
▸ CTSE P14091 1/20 0.32
▸ LTA4H P09960 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
SCHEMBL11569788 0.79 OPRD1 (0.47) SLC7A5
SCHEMBL11568492 0.75 BACE1 (0.36) BACE1
SCHEMBL11581066 0.74 ANPEP (0.36) BACE1CTSDCTSE
SCHEMBL11568275 0.74 SLC7A5 (0.40) SLC7A5
SCHEMBL5551900 0.73 SLC7A5 (0.52) ALDH1A1SLC7A5LTA4H
SCHEMBL11567184 0.73 ALDH1A1 (0.47) ALDH1A1BACE1CTSD
SCHEMBL31039945 0.73 CTSD (0.41) ALDH1A1BACE1CTSDSLC7A5
SCHEMBL11566787 0.73 ALDH1A1 (0.47) ALDH1A1BACE1CTSD
SCHEMBL11567194 0.73 ALDH1A1 (0.47) ALDH1A1BACE1CTSD
SCHEMBL11566796 0.73 ALDH1A1 (0.47) ALDH1A1BACE1CTSD

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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