SCHEMBL30279372

SCHEMBL30279372

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC[Se]C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 13/20 0.54
▸ CTSC P53634 1/20 0.47
▸ MME P08473 1/20 0.46
▸ ACE P12821 1/20 0.46
▸ CPA1 P15085 1/20 0.46
▸ ACE2 Q9BYF1 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
SCHEMBL30051852 0.92 REN (0.58) RENCTSCMMEACECPA1
SCHEMBL30279291 0.88 REN (0.43) RENCTSC
SCHEMBL30279344 0.86 REN (0.42) REN
SCHEMBL31462007 0.86 REN (0.59) RENCTSCMMEACECPA1
SCHEMBL30131278 0.84 REN (0.56) RENCTSCMMEACECPA1
SCHEMBL30051514 0.84 CTSC (0.57) RENCTSCMMEACECPA1
SCHEMBL30051269 0.83 REN (0.60) RENCTSCMMEACECPA1
SCHEMBL30123252 0.83 CTSC (0.59) RENCTSCMMEACECPA1
SCHEMBL29634944 0.82 CALCRL (0.54) RENCTSC
SCHEMBL30546877 0.80 CTSC (0.63) RENCTSCMMEACECPA1

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
CN-115477685-A Application of selenium-containing polypeptide compound in preparation of antibacterial drugs 浙江工业大学 2022-12-16 — — CN disclosed
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