SCHEMBL28859527

SCHEMBL28859527

CC(=O)OCCC1OCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRNB2 P17787 1/20 0.40
TBXA2R P21731 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 1/20 0.40
TSHR P16473 1/20 0.40
GALR3 O60755 2/20 0.39
GAA P10253 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
SCHEMBL10418774 0.78 MGAM (0.36) GAALMNA
SCHEMBL1352910 0.78
SCHEMBL3869529 0.77 CHRM5 (0.41) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL11205239 0.77 NLRP3 (0.44) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL27433743 0.75 LMNA (0.47) ALDH1A1SMN1; SMN2LMNA
SCHEMBL1057421 0.74 LMNA (0.42) ALDH1A1LMNA
SCHEMBL20185591 0.74 ALDH1A1 (0.34) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL12506840 0.73
SCHEMBL28327163 0.72 ALDH1A1 (0.40) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL30812631 0.72 ALDH1A1 (0.45) ALDH1A1CHRM5CHRM1CHRM3PGR

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-107923120-A Composition for reducing malodour and use thereof 阿吉莱克斯香料和香水公司 2018-04-17 CN disclosed