SCHEMBL31073567

SCHEMBL31073567

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 13/20 0.42
▸ CTSD P07339 2/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ MMP13 P45452 1/20 0.38

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
SCHEMBL29367112 0.92 NPY1R (0.40) MMP2MMP7MMP9MMP12MMP13
SCHEMBL29367110 0.92 NPY1R (0.40) MMP2MMP7MMP9MMP12MMP13
SCHEMBL30781191 0.92 ECE1 (0.40) MMP2MMP7MMP9MMP12MMP13
SCHEMBL28183041 0.92 ECE1 (0.40) MMP2MMP7MMP9MMP12MMP13
SCHEMBL10583276 0.92 ECE1 (0.40) MMP2MMP7MMP9MMP12MMP13
SCHEMBL30781109 0.92 ECE1 (0.40) MMP2MMP7MMP9MMP12MMP13
SCHEMBL10583281 0.92 ECE1 (0.40) MMP2MMP7MMP9MMP12MMP13
SCHEMBL30495730 0.92 BACE1 (0.41) BACE1
SCHEMBL29936688 0.90 NPY1R (0.43) —
SCHEMBL29937027 0.90 NPY1R (0.43) —

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-118777592-A Colloidal gold test strip for detecting anti-PLA 2R antibody, preparation method thereof, kit and application 江南大学 2024-10-15 — — CN disclosed
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