SCHEMBL29213433

SCHEMBL29213433

CC(C)(C)CC[C@H](NCc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 4/20 0.52
▸ SORT1 Q99523 4/20 0.52
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TSHR P16473 1/20 0.44
▸ PPARG P37231 2/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ FOLH1 Q04609 1/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ ACE P12821 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ EPHX2 P34913 1/20 0.40

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
SCHEMBL29213436 1.00 GRN (0.52) GRNSORT1ALDH1A1LMNATSHR
SCHEMBL30903308 0.87 GRN (0.46) GRNSORT1LMNAGAA
SCHEMBL29213334 0.86 GRN (0.63) GRNSORT1ACE
SCHEMBL29213330 0.86 GRN (0.63) GRNSORT1ACE
Hydrochloric Acid SCHEMBL30219109 0.85 GRN (0.45) GRNSORT1LMNAGAA
SCHEMBL30903301 0.85 GRN (0.49) GRNSORT1TSHRMEN1KMT2A
SCHEMBL29213275 0.85 GRN (0.49) GRNSORT1TSHRMEN1KMT2A
SCHEMBL29213278 0.85 GRN (0.49) GRNSORT1TSHRMEN1KMT2A
SCHEMBL29213290 0.83 LDHA (0.48) PPARGPPARAMEN1KMT2AACE
SCHEMBL29213287 0.83 LDHA (0.48) PPARGPPARAMEN1KMT2AACE

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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