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SCHEMBL9555318

SCHEMBL9555318

COC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC[C@@H](NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.51
▸ BACE1 P56817 12/20 0.48
▸ BACE2 Q9Y5Z0 1/20 0.45
▸ KLK5 Q9Y337 1/20 0.43
▸ KLK7 P49862 1/20 0.42
▸ CTSD P07339 1/20 0.42
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 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
SCHEMBL9555315 1.00 REN (0.51) RENBACE1BACE2KLK5KLK7
SCHEMBL9555135 0.94 REN (0.51) RENBACE1BACE2
SCHEMBL9555141 0.94 REN (0.51) RENBACE1BACE2
SCHEMBL9074456 0.90 REN (0.54) RENBACE1BACE2KLK5KLK7
SCHEMBL9555032 0.86 REN (0.45) RENBACE1BACE2KLK5CTSD
SCHEMBL9555288 0.83 FNTA (0.54) RENBACE1BACE2
SCHEMBL9555294 0.83 FNTA (0.54) RENBACE1BACE2
SCHEMBL13093343 0.82 REN (0.61) RENBACE1KLK5KLK7
SCHEMBL8539415 0.81 REN (0.47) RENBACE1BACE2KLK5KLK7
SCHEMBL9555013 0.80 REN (0.45) RENBACE1BACE2

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
US-5238922-A Anticancer agents MERCK & CO., INC. (US) 1993-08-24 — — US disclosed
EP-0535731-A2 Inhibitors of farnesyl protein transferase MERCK & CO. INC. (US) 1993-04-07 — — EP disclosed
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