SCHEMBL31323898

SCHEMBL31323898

NS(=O)(=O)CCCN(CCCCCCOC(=O)C1CCCCCCCCCCCCCC1)CCCCCCOC(=O)C1CCCCCCCCCCCCCC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ CHRM2 P08172 4/20 0.35
▸ CHRM4 P08173 4/20 0.35
▸ CHRM1 P11229 4/20 0.35
▸ CHRM3 P20309 4/20 0.35
▸ FKBP1A P62942 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ EPHX1 P07099 1/20 0.30
▸ CA2 P00918 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
SCHEMBL31323835 0.82 CHRM2 (0.39) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL31323936 0.82 CHRM2 (0.39) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL28099782 0.78 ALDH1A1 (0.46) ALDH1A1FKBP1AMEN1KMT2AEPHX1
SCHEMBL31323801 0.77 CHRM2 (0.36) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL31323881 0.77 CHRM2 (0.36) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL13291850 0.76 ALDH1A1 (0.47) ALDH1A1FKBP1AMEN1KMT2AEPHX1
SCHEMBL31323824 0.75 CHRM2 (0.35) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL12120245 0.75 ALDH1A1 (0.44) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL10172844 0.74 ALDH1A1 (0.39) ALDH1A1FKBP1AEPHX1
SCHEMBL31323878 0.74 ALDH1A1 (0.41) ALDH1A1FKBP1AMEN1KMT2AEPHX1

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-2025035202-A1 IONIZABLE LIPIDS COMPRISING MACROCYCLIC RINGS FOR THE DELIVERY OF THERAPEUTIC AGENTS NANOVATION THERAPEUTICS INC. (CA) 2025-02-20 — — WO disclosed
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