SCHEMBL11024070

SCHEMBL11024070

COC(=O)CC(C=CC(C)OC(C)=O)OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MAPT P10636 2/20 0.32
RAB9A P51151 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
PDE4D Q08499 3/20 0.31
GALR3 O60755 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AKT1 P31749 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL11024067 1.00 TSHR (0.35) TSHRMGAMGAASIMGAM2
SCHEMBL11121713 0.78 MGAM (0.32) TSHRMGAMGAASIMGAM2
SCHEMBL11121711 0.78 MGAM (0.32) TSHRMGAMGAASIMGAM2
SCHEMBL11025504 0.77 TSHR (0.41) TSHRMGAMGAASIMGAM2
SCHEMBL11025502 0.77 TSHR (0.41) TSHRMGAMGAASIMGAM2
SCHEMBL11025670 0.77 TDP1 (0.32) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11025671 0.77 TDP1 (0.32) MGAMGAASIMGAM2ALDH1A1
SCHEMBL29860909 0.77 TSHR (0.55) TSHRMAPTCHRM2CHRM4CHRM1
SCHEMBL18760222 0.71 TSHR (0.48) TSHRMGAMGAASIMGAM2
SCHEMBL7691229 0.71 TSHR (0.48) TSHRMGAMGAASIMGAM2

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-4529814-A Acyloxyalkadienoates and their preparation BASF AKTIENGESELLSCHAFT (DE) 1985-07-16 US disclosed