SCHEMBL29213336

SCHEMBL29213336

CC(C)(C)CCC(NCc1cncnc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 5/20 0.43
▸ SORT1 Q99523 5/20 0.43
▸ GGT1 P19440 2/20 0.39
▸ VNN1 O95497 2/20 0.35
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ PYGL P06737 1/20 0.32
▸ ITGAV P06756 1/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ CPB1 P15086 1/20 0.31
▸ CPB2 Q96IY4 1/20 0.31
▸ ITGA4 P13612 1/20 0.30
▸ ITGB7 P26010 1/20 0.30
▸ CTSL P07711 1/20 0.30

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
SCHEMBL29213329 1.00 GRN (0.43) GRNSORT1GGT1VNN1PDCD1
SCHEMBL29213352 0.84 GRN (0.42) GRNSORT1GGT1PDCD1CD274
SCHEMBL29213347 0.84 GRN (0.42) GRNSORT1GGT1PDCD1CD274
SCHEMBL30903312 0.84 GRN (0.42) GRNSORT1GGT1PDCD1CD274
SCHEMBL29213469 0.84 GRN (0.42) GRNSORT1GGT1PDCD1CD274
SCHEMBL29213281 0.84 LMNA (0.47) CYP2C9
SCHEMBL29213472 0.84 GRN (0.42) GRNSORT1GGT1PDCD1CD274
SCHEMBL30903298 0.84 LMNA (0.47) CYP2C9
SCHEMBL29213277 0.84 LMNA (0.47) CYP2C9
SCHEMBL29213280 0.83 RAB9A (0.44) GRNSORT1

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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