SCHEMBL29375949

SCHEMBL29375949

CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)C(C)C)[C@@H](C)O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 15/20 0.60
▸ CTSB P07858 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ ERAP2 Q6P179 1/20 0.49
▸ ERAP1 Q9NZ08 1/20 0.49
▸ LNPEP Q9UIQ6 1/20 0.49
▸ CTSD P07339 1/20 0.49

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
SCHEMBL29372871 0.82 REN (0.53) RENLNPEP
SCHEMBL13563453 0.81 REN (0.72) RENERAP2ERAP1LNPEP
SCHEMBL9115354 0.79 CTSC (0.52) ERAP2ERAP1LNPEP
SCHEMBL23312535 0.78 GHSR (0.63) REN
SCHEMBL13563455 0.77 REN (0.67) REN
SCHEMBL29971719 0.77 REN (0.60) REN
SCHEMBL28133942 0.77 REN (0.60) REN
SCHEMBL30667529 0.77 BACE1 (0.56) CTSD
SCHEMBL29351955 0.76 CTSD (0.57) RENCTSD
SCHEMBL28101252 0.76 LNPEP (0.51) RENCTSBCTSKLNPEP

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-114015898-A Method for enhanced leaching of arsenic in copper arsenic filter cake 中国科学院过程工程研究所 2022-02-08 — — CN disclosed
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