SCHEMBL28003178

SCHEMBL28003178

CC(=O)OCC(Cl)(Cl)Cl.[Zn]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 2/20 0.36
PGR P06401 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
SMN1; SMN2 Q16637 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
SCHEMBL732714 0.97
SCHEMBL6340782 0.95 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10CHRM1CHRM3
Phosphonic Acid SCHEMBL8153453 0.88 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10CHRM1CHRM3
SCHEMBL12136170 0.79
SCHEMBL3363977 0.77 GLO1 (0.32) ALDH1A1LMNAHSD17B10CHRM1CHRM3
SCHEMBL13518717 0.77
Clorethate SCHEMBL41346 0.75 CHRM2 (0.39) ALDH1A1CHRM1CHRM3CHRM2CHRM4
SCHEMBL309351 0.75 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10CHRM1CHRM3
SCHEMBL9230930 0.75 ALDH1A1 (0.34) ALDH1A1CHRM1CHRM3CHRM2CHRM4
SCHEMBL10424213 0.73 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102977110-B Asymmetric dendritic metalloporphyrin as well as preparation method and application thereof UNIV JINAN 2015-02-18 CN claimed
CN-102977110-B Asymmetric dendritic metalloporphyrin as well as preparation method and application thereof UNIV JINAN 2015-02-18 CN disclosed