SCHEMBL31323871

SCHEMBL31323871

CN(C)CCCC(=O)OC(CCCCCOC(=O)C1CCCCCCCCCCCCCC1)CCCCCOC(=O)C1CCCCCCCCCCCCCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
DNM1 Q05193 1/20 0.35
ALDH1A1 P00352 3/20 0.34
EPHX2 P34913 1/20 0.34
LMNA P02545 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
NAAA Q02083 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL31323883 1.00 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3DNM1
SCHEMBL15028140 1.00 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3DNM1
SCHEMBL15027495 0.99 DNM1 (0.35) CHRM2CHRM4CHRM1CHRM3DNM1
SCHEMBL16376199 0.92 CHRM2 (0.32) CHRM2CHRM4CHRM1CHRM3DNM1
SCHEMBL20924796 0.89 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3DNM1
SCHEMBL20924798 0.88 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL20924716 0.86 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL27299105 0.83 TLR2 (0.34) DNM1ALDH1A1EPHX2LMNASIGMAR1
SCHEMBL15027494 0.83 SIGMAR1 (0.40) CHRM2CHRM4CHRM1CHRM3DNM1
SCHEMBL15026847 0.81 SIGMAR1 (0.43) CHRM2CHRM4CHRM1CHRM3DNM1

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