SCHEMBL24632191

SCHEMBL24632191

NC(=O)CCCCCCCCOC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TSHR P16473 3/20 0.43
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
CYP2C19 P33261 2/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
HTR1A P08908 1/20 0.43
CHRNA7 P36544 1/20 0.43
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
SOAT1 P35610 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL27028799 1.00 LMNA (0.44) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL27824901 1.00 LMNA (0.44) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL27961924 1.00 LMNA (0.44) LMNATSHRCHRM2CHRM4CHRM5
Methane SCHEMBL27961999 0.98 LMNA (0.42) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL2059697 0.89 TSHR (0.50) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL2139712 0.89 TSHR (0.50) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL5721434 0.89 TSHR (0.50) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL2136691 0.89 TSHR (0.50) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL5721317 0.89 TSHR (0.50) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL2746089 0.89 TSHR (0.50) LMNATSHRCHRM2CHRM4CHRM5

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
US-20220275218-A1 CROSSLINKABLE FLAME-RETARDANT COATING COMPOSITION SWIMC LLC 2022-09-01 US disclosed