SCHEMBL24419861

SCHEMBL24419861

CC(=O)OC/C(C)=C(/C)N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.41
ALOX15 P16050 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRNB2 P17787 1/20 0.36
TBXA2R P21731 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36

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
SCHEMBL10530238 0.83 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL10530231 0.83 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL1715036 0.78
SCHEMBL11694940 0.78 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL28773802 0.77 MGAM (0.46) ALDH1A1LMNATSHRALOX15GAA
Hydrochloric Acid SCHEMBL9760071 0.76
Bromide SCHEMBL11871852 0.76
SCHEMBL11788854 0.74 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL14415262 0.74 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL6618960 0.74

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-2022099060-A2 BICYCLIC PYRIDAZINONES AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed