SCHEMBL30655941

SCHEMBL30655941

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.57
▸ ENPEP Q07075 15/20 0.55
▸ MME P08473 2/20 0.54
▸ ACE P12821 1/20 0.54
▸ CPA1 P15085 1/20 0.54
▸ ACE2 Q9BYF1 1/20 0.54
▸ BACE1 P56817 1/20 0.53

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
SCHEMBL30839324 0.95 BACE1 (0.59) CTSDENPEPMMEACECPA1
SCHEMBL30544642 0.92 CTSD (0.56) CTSDMMEACECPA1ACE2
SCHEMBL30051590 0.92 ACE (0.64) CTSDMMEACECPA1ACE2
SCHEMBL29603617 0.91 ACE (0.60) CTSDENPEPMMEACECPA1
SCHEMBL30493684 0.91 CTSD (0.52) CTSDENPEPMMEACECPA1
SCHEMBL29603734 0.91 ACE (0.60) CTSDENPEPMMEACECPA1
SCHEMBL30890858 0.90 BACE1 (0.56) CTSDMMEBACE1
SCHEMBL29500570 0.90 BACE1 (0.56) CTSDMMEBACE1
SCHEMBL30819112 0.89 BACE1 (0.56) CTSDENPEPMMEACECPA1
SCHEMBL30311017 0.89 MME (0.57) CTSDMMEACECPA1ACE2

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-117126233-A Peptide-like compound and application thereof 杭州禾泰健宇生物科技有限公司 2023-11-28 — — CN disclosed
Send feedback