SCHEMBL21409941

SCHEMBL21409941

CC(C)C(C)(C)OOCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTH P32929 1/20 0.33
CBS P35520 1/20 0.33
THPO P40225 1/20 0.33
THRB P10828 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ELANE P08246 1/20 0.30
CD69 Q07108 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
SCHEMBL543679 0.78 TSHR (0.38) TSHRSMN1; SMN2CTHCBSTHPO
SCHEMBL1362384 0.77 CYP2C9 (0.33)
SCHEMBL6674971 0.73 TSHR (0.35) TSHRSMN1; SMN2CTHCBSTHPO
SCHEMBL10733816 0.71
SCHEMBL2672443 0.70 ALDH1A1 (0.33) TSHRCYP2D6CYP2C19MAPTALDH1A1
SCHEMBL21409940 0.70 LMNA (0.34) TSHRSMN1; SMN2CTHCBSTHPO
SCHEMBL28610307 0.68 CTSK (0.33)
SCHEMBL21433591 0.68
SCHEMBL8438763 0.68
SCHEMBL4624223 0.68 MEN1 (0.35) TSHRHMGCRCHRM1TBXA2RADRA1A

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
WO-2019189628-A1 THERMOSETTING RESIN COMPOSITION 株式会社大阪ソーダ 2019-10-03 WO disclosed