SCHEMBL9555135

SCHEMBL9555135

CSCCC(NC(=O)C(Cc1ccccc1)NCC(NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.51
▸ BACE1 P56817 12/20 0.49
▸ FNTA P49354 2/20 0.47
▸ FNTB P49356 2/20 0.47
▸ PGGT1B P53609 2/20 0.47
▸ BACE2 Q9Y5Z0 1/20 0.46

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
SCHEMBL9555141 1.00 REN (0.51) RENBACE1FNTAFNTBPGGT1B
SCHEMBL9555318 0.94 REN (0.51) RENBACE1BACE2
SCHEMBL9555315 0.94 REN (0.51) RENBACE1BACE2
SCHEMBL9555288 0.90 FNTA (0.54) RENBACE1FNTAFNTBPGGT1B
SCHEMBL9555294 0.90 FNTA (0.54) RENBACE1FNTAFNTBPGGT1B
SCHEMBL9555013 0.86 REN (0.45) RENBACE1FNTAFNTBPGGT1B
SCHEMBL31091378 0.83 ACE (0.59) REN
SCHEMBL9074456 0.83 REN (0.54) RENBACE1FNTAFNTBPGGT1B
SCHEMBL9555357 0.82 REN (0.52) RENBACE1FNTAFNTBPGGT1B
SCHEMBL23154872 0.81 CTSS (0.58) REN

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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