SCHEMBL29213352

SCHEMBL29213352

Cc1ncc(CNC(CCC(C)(C)C)C(=O)O)cn1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 5/20 0.42
▸ SORT1 Q99523 5/20 0.42
▸ CD274 Q9NZQ7 6/20 0.38
▸ PDCD1 Q15116 5/20 0.38
▸ GGT1 P19440 2/20 0.35
▸ PYGL P06737 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.32

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
SCHEMBL29213347 1.00 GRN (0.42) GRNSORT1CD274PDCD1GGT1
SCHEMBL29213351 0.85 CD274 (0.43) GRNSORT1CD274PDCD1PYGL
SCHEMBL29213346 0.85 CD274 (0.43) GRNSORT1CD274PDCD1PYGL
SCHEMBL30903295 0.85 CD274 (0.43) GRNSORT1CD274PDCD1PYGL
SCHEMBL29213329 0.84 GRN (0.43) GRNSORT1CD274PDCD1GGT1
SCHEMBL29213336 0.84 GRN (0.43) GRNSORT1CD274PDCD1GGT1
SCHEMBL29213377 0.80 GRN (0.42) GRNSORT1CD274PDCD1PYGL
SCHEMBL30903312 0.80 GRN (0.42) GRNSORT1CD274PDCD1GGT1
SCHEMBL29213472 0.80 GRN (0.42) GRNSORT1CD274PDCD1GGT1
SCHEMBL29213469 0.80 GRN (0.42) GRNSORT1CD274PDCD1GGT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118019533-A 2-Amino-5, 5-dimethylhexanoic acid derivatives as sortilin modulators for the treatment of central nervous system diseases 因苏森斯有限公司 2024-05-10 — — CN claimed
CN-118019533-A 2-Amino-5, 5-dimethylhexanoic acid derivatives as sortilin modulators for the treatment of central nervous system diseases 因苏森斯有限公司 2024-05-10 — — CN disclosed
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