SCHEMBL28645748

SCHEMBL28645748

CC(=O)OCCN(CC(=O)O)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
CHRM2 P08172 3/20 0.38
TSHR P16473 3/20 0.38
CHRM4 P08173 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
PGR P06401 1/20 0.38
HTR1A P08908 1/20 0.38
TBXA2R P21731 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
HSD17B10 Q99714 2/20 0.36
BLM P54132 2/20 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
SCHEMBL25828606 0.86 ALDH1A1 (0.40) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL791874 0.82 MAPK1 (0.38) ALDH1A1CHRM2TSHRSMN1; SMN2HSD17B10
SCHEMBL10620663 0.79 ALDH1A1 (0.35) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL8586627 0.79 BLM (0.54) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL11929073 0.79 ALDH1A1 (0.46) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL5932161 0.79 ALDH1A1 (0.44) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL16664455 0.78 MVD (0.50) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL22345272 0.77 CHRM5 (0.36) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL26300313 0.77 TSHR (0.38) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL24703837 0.77 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2GAALMNA

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
CN-113439081-A Pyridazinium compounds for use in methods of controlling unwanted plant growth 先正达农作物保护股份公司 2021-09-24 CN disclosed