SCHEMBL31323901

SCHEMBL31323901

CN(CCCCO)C(CCCCCOC(=O)C1CCCCCCCCCCCCCC1)CCCCCOC(=O)C1CCCCCCCCCCCCCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.33
▸ CHRM4 P08173 3/20 0.33
▸ CHRM1 P11229 3/20 0.33
▸ CHRM3 P20309 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ ADRB2 P07550 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ FKBP1A P62942 1/20 0.31
▸ EPHX2 P34913 1/20 0.30
▸ ACHE P22303 2/20 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
SCHEMBL31323831 1.00 CHRM2 (0.33) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL31323838 0.88 ALDH1A1 (0.32) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL31323807 0.88 ALDH1A1 (0.32) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL31323910 0.87 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL31323932 0.86 ALDH1A1 (0.32) ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL31323848 0.83 SMN1; SMN2 (0.34) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL31323936 0.82 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL31323835 0.82 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL31323823 0.81 SMN1; SMN2 (0.38) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL18669067 0.80 ALDH1A1 (0.42) ALDH1A1ADRB2ADRB1ADRB3FKBP1A

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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