SCHEMBL29213472

SCHEMBL29213472

Cc1cncc(CNC(CCC(C)(C)C)C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 4/20 0.42
▸ SORT1 Q99523 4/20 0.42
▸ CYP2C9 P11712 3/20 0.38
▸ NAMPT P43490 2/20 0.38
▸ CTSB P07858 1/20 0.36
▸ PYGL P06737 1/20 0.36
▸ GGT1 P19440 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ PDCD1 Q15116 4/20 0.33
▸ CD274 Q9NZQ7 4/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 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
SCHEMBL29213469 1.00 GRN (0.42) GRNSORT1CYP2C9NAMPTCTSB
SCHEMBL30903312 1.00 GRN (0.42) GRNSORT1CYP2C9NAMPTCTSB
SCHEMBL29213362 0.86 GRN (0.44) GRNSORT1GGT1HCAR2CYP3A4
SCHEMBL30903307 0.86 GRN (0.44) GRNSORT1GGT1HCAR2CYP3A4
SCHEMBL29213359 0.86 GRN (0.44) GRNSORT1GGT1HCAR2CYP3A4
SCHEMBL29213370 0.84 GRN (0.40) GRNSORT1PDCD1CD274CYP11B1
SCHEMBL30219085 0.84 GRN (0.40) GRNSORT1PDCD1CD274CYP11B1
SCHEMBL29213373 0.84 GRN (0.40) GRNSORT1PDCD1CD274CYP11B1
SCHEMBL29213329 0.84 GRN (0.43) GRNSORT1CYP2C9NAMPTPYGL
SCHEMBL29213336 0.84 GRN (0.43) GRNSORT1CYP2C9NAMPTPYGL

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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