SCHEMBL20358992

SCHEMBL20358992

C=C(OCC(C)C)C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPR35 Q9HC97 1/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
MAP3K7 O43318 1/20 0.31
TAB1 Q15750 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL7678018 0.86 TSHR (0.68) TSHRALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL28441915 0.81 TSHR (0.55) TSHRALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL8978071 0.81 TSHR (0.88) TSHRALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL2592667 0.78 LMNA (0.42) TSHRALDH1A1KDM4EMAPK1
SCHEMBL2832061 0.76 TSHR (0.54) TSHRALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL7121347 0.76 TSHR (0.54) TSHRALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL9645536 0.75 TSHR (0.75) TSHRALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL2355275 0.75
SCHEMBL20262429 0.75 TSHR (0.71) TSHRALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL304813 0.74

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-20180196367-A1 TONER AND METHOD OF PRODUCING TONER CANON KABUSHIKI KAISHA (JP) 2018-07-12 US disclosed