SCHEMBL28826436

SCHEMBL28826436

CC(=O)OCC1(CS)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRNB2 P17787 1/20 0.31
TBXA2R P21731 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRNA10 Q9GZZ6 1/20 0.31
CHRNA9 Q9UGM1 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL8448704 0.86 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL18134200 0.86 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL14681226 0.80 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL9949918 0.79 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL5648942 0.78 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL30683844 0.77 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL7195368 0.76 LMNA (0.39) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL24920444 0.75 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL5645134 0.74 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10SMN1; SMN2GAA
SCHEMBL31196271 0.72 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10GALR3

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-105392777-A Biaryl derivatives as GRP120 agonists LG LIFE SCIENCES LTD 2016-03-09 CN disclosed