SCHEMBL30646465

SCHEMBL30646465

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 5/20 0.52
▸ GRB2 P62993 1/20 0.52
▸ MME P08473 1/20 0.50
▸ ACE P12821 1/20 0.50
▸ CPA1 P15085 1/20 0.50
▸ ACE2 Q9BYF1 1/20 0.50
▸ BACE1 P56817 7/20 0.49
▸ KISS1R Q969F8 2/20 0.48

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
SCHEMBL29630630 0.94 BACE1 (0.56) CTSDBACE1KISS1R
SCHEMBL30493684 0.92 CTSD (0.52) CTSDMMEACECPA1ACE2
SCHEMBL30544642 0.91 CTSD (0.56) CTSDGRB2MMEACECPA1
SCHEMBL30051904 0.91 MME (0.57) CTSDMMEACECPA1ACE2
SCHEMBL3052108 0.89 CTSD (0.57) CTSDMMEACECPA1ACE2
SCHEMBL3052110 0.89 CTSD (0.57) CTSDMMEACECPA1ACE2
SCHEMBL31590754 0.89 MME (0.52) CTSDMMEACECPA1ACE2
SCHEMBL29416012 0.88 KISS1R (0.57) CTSDBACE1KISS1R
SCHEMBL18907573 0.88 BACE1 (0.54) CTSDMMEACECPA1ACE2
SCHEMBL30051502 0.88 CTSD (0.59) CTSDMME

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
US-11820836-B2 Polypeptide and use thereof BGI SHENZHEN (CN) 2023-11-21 — — US claimed
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