SCHEMBL30219049

SCHEMBL30219049

C[C@H](N[C@@H](CCC(C)(C)C)C(=O)O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.51
▸ APAF1 O14727 1/20 0.46
▸ GRN P28799 2/20 0.45
▸ SORT1 Q99523 2/20 0.45
▸ POLB P06746 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ CTSK P43235 2/20 0.43
▸ MMP1 P03956 2/20 0.42
▸ MMP3 P08254 2/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ CASR P41180 1/20 0.42
▸ ACP3 P15309 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL30219105 1.00 RIPK1 (0.51) RIPK1APAF1GRNSORT1POLB
Hydrochloric Acid SCHEMBL30219092 0.98 RIPK1 (0.50) RIPK1APAF1GRNSORT1POLB
SCHEMBL30903302 0.86 RIPK1 (0.51) RIPK1GRNSORT1
Hydrochloric Acid SCHEMBL30168116 0.85 RIPK1 (0.50) RIPK1GRNSORT1
SCHEMBL19753552 0.83 MME (0.55) APAF1POLBCTDSP1CTSKCASR
SCHEMBL15384059 0.83 MME (0.55) APAF1POLBCTDSP1CTSKCASR
SCHEMBL30219112 0.82 CTSL (0.50) RIPK1GRNSORT1CTSK
SCHEMBL30219101 0.82 CTSL (0.50) RIPK1GRNSORT1CTSK
SCHEMBL27505417 0.81 APAF1 (0.53) APAF1POLBCTDSP1CASRACP3
SCHEMBL30219104 0.81 RIPK1 (0.46) RIPK1GRNSORT1MMP1MMP3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4395776-A1 2-AMINO-5,5-DIMETHYLHEXANOIC ACID DERIVATIVES AS SORTILIN MODULATORS FOR USE IN THE TREATMENT OF DISEASE OF THE CENTRAL NERVOUS SYSTEM Insusense ApS (DK) 2024-07-10 — — EP claimed
WO-2023031440-A1 2-AMINO-5,5-DIMETHYLHEXANOIC ACID DERIVATIVES AS SORTILIN MODULATORS FOR USE IN THE TREATMENT OF DISEASE OF THE CENTRAL NERVOUS SYSTEM INSUSENSE ApS (DK) 2023-03-09 — — WO claimed
EP-4395776-A1 2-AMINO-5,5-DIMETHYLHEXANOIC ACID DERIVATIVES AS SORTILIN MODULATORS FOR USE IN THE TREATMENT OF DISEASE OF THE CENTRAL NERVOUS SYSTEM Insusense ApS (DK) 2024-07-10 — — EP disclosed
WO-2023031440-A1 2-AMINO-5,5-DIMETHYLHEXANOIC ACID DERIVATIVES AS SORTILIN MODULATORS FOR USE IN THE TREATMENT OF DISEASE OF THE CENTRAL NERVOUS SYSTEM INSUSENSE ApS (DK) 2023-03-09 — — WO disclosed
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