SCHEMBL28084282

SCHEMBL28084282

CC(=O)O[C@@H](C)CCC[C@H](C)OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
CHRM2 P08172 1/20 0.54
CHRM4 P08173 1/20 0.54
CHRM1 P11229 1/20 0.54
TBXA2R P21731 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
GALR3 O60755 1/20 0.52
MAPT P10636 1/20 0.52
BLM P54132 1/20 0.52
FAAH O00519 5/20 0.44
TRPV1 Q8NER1 1/20 0.44
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PTPN1 P18031 1/20 0.34
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL996778 0.93 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11425834 0.92 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1300727 0.92 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5610948 0.92 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7757360 0.92 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1302084 0.92 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL4444590 0.92 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL4443385 0.92 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10793944 0.89 TSHR (0.58) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10804192 0.89 TSHR (0.58) 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-105724380-A Rice gall midge sex attractant and application thereof 中国农业大学 2016-07-06 CN disclosed