SCHEMBL26779100

SCHEMBL26779100

CCOC(=O)CN(C(=O)CF)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ GAA P10253 2/20 0.40
▸ MGAM O43451 1/20 0.40
▸ SI P14410 1/20 0.40
▸ MGAM2 Q2M2H8 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ SOAT1 P35610 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL11029836 0.76 CA12 (0.41) CA12CA1CA2CA9GAA
SCHEMBL26779098 0.76 MEN1 (0.35) LMNAKDM4EALOX15KMT2A
SCHEMBL20125953 0.75 CA12 (0.40) CA12CA1CA2CA9GAA
SCHEMBL26779258 0.75 PSMB5 (0.41) CA12CA1CA2CA9LMNA
SCHEMBL11265878 0.74 CA12 (0.48) CA12CA1CA2CA9GAA
SCHEMBL18796463 0.74 CA12 (0.39) CA12CA1CA2CA9GAA
SCHEMBL26773201 0.74 CA12 (0.39) CA12CA1CA2CA9GAA
SCHEMBL1911479 0.72 CA12 (0.52) CA12CA1CA2CA9GAA
SCHEMBL9368682 0.72 NLRP3 (0.40) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL2039269 0.71 CA12 (0.46) CA12CA1CA2CA9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023215559-A1 COMPOUNDS, COMPOSITIONS, AND METHODS ARIA PHARMACEUTICALS, INC. (US) 2023-11-09 — — WO disclosed
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