SCHEMBL29213372

SCHEMBL29213372

Cc1cnccc1CNC(CCC(C)(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GRN P28799 3/20 0.39
▸ SORT1 Q99523 3/20 0.39
▸ PDCD1 Q15116 6/20 0.37
▸ CD274 Q9NZQ7 6/20 0.37
▸ PYGL P06737 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ GGT1 P19440 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ KDM4C Q9H3R0 2/20 0.34
▸ BUB1 O43683 1/20 0.34

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
SCHEMBL29213369 1.00 KDM4E (0.39) KDM4EALDH1A1MAPTGRNSORT1
SCHEMBL29213283 0.80 RAB9A (0.44) KDM4EALDH1A1MAPTGRNSORT1
SCHEMBL29213280 0.80 RAB9A (0.44) KDM4EALDH1A1MAPTGRNSORT1
SCHEMBL29213441 0.80 ROS1 (0.43) KDM4EALDH1A1
SCHEMBL29213243 0.80 KMT2A (0.41) KDM4EALDH1A1GRNSORT1CYP2C9
SCHEMBL29213443 0.80 ROS1 (0.43) KDM4EALDH1A1
SCHEMBL29213242 0.80 KMT2A (0.41) KDM4EALDH1A1GRNSORT1CYP2C9
SCHEMBL30903298 0.79 LMNA (0.47) KDM4EALDH1A1MAPTCYP2C9
SCHEMBL29213281 0.79 LMNA (0.47) KDM4EALDH1A1MAPTCYP2C9
SCHEMBL29213277 0.79 LMNA (0.47) KDM4EALDH1A1MAPTCYP2C9

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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