SCHEMBL28464334

SCHEMBL28464334

CCC(CC(C)OC)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GALR3 O60755 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
HRH1 P35367 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC18A3 Q16572 1/20 0.33
PRKCA P17252 2/20 0.33
TRPV1 Q8NER1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL10065668 0.88 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28468167 0.85 TSHR (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL19760880 0.84 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10168449 0.84 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL15725513 0.84 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL26338531 0.84 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14088063 0.81 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14088060 0.81 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL12563679 0.79 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL17486681 0.79 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R

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-109072138-B Detergent composition 狮王株式会社 2020-10-27 CN disclosed