SCHEMBL11567951

SCHEMBL11567951

CC(C)C[C@@H]([C]=O)N(C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)OCc1ccccc1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.38
▸ CTSB P07858 3/20 0.38
▸ CTSK P43235 3/20 0.38
▸ CTSL P07711 2/20 0.38
▸ CTSS P25774 2/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ BACE1 P56817 6/20 0.37
▸ PSEN1 P49768 5/20 0.36
▸ PSEN2 P49810 5/20 0.36
▸ APH1B Q8WW43 5/20 0.36
▸ NCSTN Q92542 5/20 0.36
▸ APH1A Q96BI3 5/20 0.36
▸ PSENEN Q9NZ42 5/20 0.36
▸ CTSD P07339 1/20 0.35
▸ PSMB5 P28074 1/20 0.35

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
SCHEMBL11567948 0.80 CTSK (0.38) MMP1CTSBCTSKCTSLCTSS
SCHEMBL7269855 0.77 SLC7A5 (0.41) CTSBCTSKCTSLCTSSPSEN1
SCHEMBL11568486 0.76 MME (0.41) CTSKPSMB5
SCHEMBL11568489 0.75 CTSD (0.45) CTSBCTSKBACE1PSEN1PSEN2
SCHEMBL11568405 0.73 MME (0.50) MMP1CTSBCTSKCTSD
SCHEMBL11568394 0.73 MME (0.50) MMP1CTSBCTSKCTSD
SCHEMBL11567621 0.71 CTSK (0.55) CTSBCTSKCTSLCTSSCTSD
SCHEMBL11567622 0.71 CTSK (0.55) CTSBCTSKCTSLCTSSCTSD
SCHEMBL11568492 0.71 BACE1 (0.36) BACE1PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL11568557 0.71 CTSK (0.54) CTSBCTSKCTSLCTSSCTSD

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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