SCHEMBL25075478

SCHEMBL25075478

COCCCCN(C)CCCOC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.42
PIK3CD O00329 1/20 0.41
ALDH1A1 P00352 2/20 0.36
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
FDPS P14324 5/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
TSHR P16473 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL9387067 0.94 PIK3CD (0.44) CHRM2PIK3CDALDH1A1S1PR2S1PR1
SCHEMBL9025471 0.89 PIK3CD (0.52) CHRM2PIK3CDALDH1A1S1PR2S1PR1
SCHEMBL24865836 0.87 S1PR2 (0.48) CHRM2S1PR2S1PR1S1PR3S1PR5
SCHEMBL23350261 0.87 CA12 (0.52) CHRM2PIK3CDALDH1A1S1PR2S1PR1
SCHEMBL28868884 0.87 S1PR2 (0.48) CHRM2PIK3CDS1PR2S1PR1S1PR3
SCHEMBL17519412 0.85 SIGMAR1 (0.44) CHRM2PIK3CDALDH1A1S1PR2S1PR1
SCHEMBL20325034 0.85 CA12 (0.50) CHRM2PIK3CDALDH1A1S1PR2S1PR1
SCHEMBL28504678 0.85 CHRM2 (0.36) CHRM2PIK3CDS1PR2S1PR1S1PR3
SCHEMBL12571542 0.84 ALDH1A1 (0.41) CHRM2PIK3CDALDH1A1TSHRCA12
SCHEMBL12571539 0.84 CA12 (0.55) CHRM2PIK3CDALDH1A1FDPSSCN1A

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-2023022926-A1 NANOPARTICLE COMPOSITIONS CONTAINING SUGAR FUNCTIONALIZED NUCLEIC ACID CARRIERS TIBA BIOTECH LLC (US) 2023-02-23 WO disclosed