SCHEMBL30259072

SCHEMBL30259072

CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 18/20 0.41
▸ BACE2 Q9Y5Z0 2/20 0.41
▸ CTSD P07339 2/20 0.40
▸ CASP1 P29466 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CASP9 P55211 1/20 0.37

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
SCHEMBL30193475 0.93 BACE1 (0.41) BACE1BACE2CTSD
SCHEMBL7555807 0.93 ENPEP (0.42) BACE1CTSDCASP1CASP3CASP9
SCHEMBL30561495 0.91 ERAP2 (0.40) BACE1BACE2
SCHEMBL30913884 0.90 BACE1 (0.40) BACE1CTSDCASP3CASP7
SCHEMBL30913885 0.90 BACE1 (0.40) BACE1CTSDCASP3CASP7
SCHEMBL30476106 0.89 BACE1 (0.49) BACE1BACE2CTSD
SCHEMBL30974548 0.88 BACE1 (0.35) BACE1CASP3CASP7
SCHEMBL30720017 0.88 BACE1 (0.46) BACE1BACE2CTSD
SCHEMBL30781078 0.87 MME (0.36) —
SCHEMBL30781160 0.87 MME (0.36) —

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-20230053463-A1 ABALOPARATIDE FORMULATIONS AND METHODS OF TESTING, STORING, MODIFYING, AND USING SAME RADIUS HEALTH, INC. (US) 2023-02-23 — — US disclosed
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