SCHEMBL9555032

SCHEMBL9555032

CC[C@H](C)[C@@H](CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OC)NC[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.45
▸ CTSD P07339 4/20 0.43
▸ BACE1 P56817 7/20 0.42
▸ KLK5 Q9Y337 1/20 0.41
▸ CCKBR P32239 4/20 0.39
▸ BACE2 Q9Y5Z0 1/20 0.39
▸ CCKAR P32238 3/20 0.39

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
SCHEMBL9555013 0.94 REN (0.45) RENBACE1CCKBRBACE2CCKAR
SCHEMBL5891507 0.90 EGFR (0.46) RENCTSDBACE1KLK5CCKBR
SCHEMBL9555318 0.86 REN (0.51) RENCTSDBACE1KLK5BACE2
SCHEMBL9555315 0.86 REN (0.51) RENCTSDBACE1KLK5BACE2
SCHEMBL5891920 0.84 FNTA (0.52) RENBACE1
SCHEMBL9074456 0.82 REN (0.54) RENBACE1KLK5BACE2
SCHEMBL9555357 0.81 REN (0.52) RENBACE1BACE2
SCHEMBL9555141 0.80 REN (0.51) RENBACE1BACE2
SCHEMBL9555135 0.80 REN (0.51) RENBACE1BACE2
SCHEMBL8073153 0.80 EGFR (0.47) RENCTSDBACE1

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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