SCHEMBL29213346

SCHEMBL29213346

Cc1ccc(CN[C@@H](CCC(C)(C)C)C(=O)O)cn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 3/20 0.43
▸ PDCD1 Q15116 2/20 0.43
▸ GRN P28799 4/20 0.42
▸ SORT1 Q99523 4/20 0.42
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ VNN1 O95497 2/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ GLS O94925 1/20 0.35
▸ WDR5 P61964 1/20 0.34
▸ PYGL P06737 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL30903295 1.00 CD274 (0.43) CD274PDCD1GRNSORT1TSHR
SCHEMBL29213351 1.00 CD274 (0.43) CD274PDCD1GRNSORT1TSHR
SCHEMBL29213347 0.85 GRN (0.42) CD274PDCD1GRNSORT1SIRT2
SCHEMBL29213352 0.85 GRN (0.42) CD274PDCD1GRNSORT1SIRT2
SCHEMBL30903298 0.82 LMNA (0.47) SMN1; SMN2CYP2C9
SCHEMBL29213277 0.82 LMNA (0.47) SMN1; SMN2CYP2C9
SCHEMBL29213281 0.82 LMNA (0.47) SMN1; SMN2CYP2C9
SCHEMBL29213380 0.82 GRN (0.42) CD274PDCD1GRNSORT1PYGL
SCHEMBL29213377 0.82 GRN (0.42) CD274PDCD1GRNSORT1PYGL
SCHEMBL31601087 0.80 GRN (0.67) CD274PDCD1GRNSORT1

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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