SCHEMBL11514847

SCHEMBL11514847

CC(=O)OCC(C)(CO)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34

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
SCHEMBL16168801 0.95 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL7646177 0.93 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL14076148 0.89 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL3199088 0.87 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL27238380 0.82 LMNA (0.40) ALDH1A1LMNAHSD17B10SMN1; SMN2TSHR
SCHEMBL9116960 0.81 LMNA (0.45) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL11685794 0.80 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10SMN1; SMN2TSHR
SCHEMBL10171465 0.80 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL10852229 0.80 LMNA (0.39) ALDH1A1LMNAHSD17B10SMN1; SMN2KDM4E
SCHEMBL15024590 0.80 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10CHRM5CHRM1

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
US-4138300-A Process for producing a transparent shaped polymeric product JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JP) 1979-02-06 US disclosed