SCHEMBL28267237

SCHEMBL28267237

C=CCOC(=O)OOC(C)(C)C.[H+]

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
MAPT P10636 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
APP P05067 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
SCHEMBL6565508 0.98 TSHR (0.38) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL22164087 0.87 TSHR (0.34) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL492248 0.87 TSHR (0.36) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL28535997 0.81 SMN1; SMN2 (0.38) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL65105 0.79 CYP3A4 (0.45) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL11299670 0.78 TSHR (0.35) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL372321 0.78 SMN1; SMN2 (0.40) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL9239290 0.77 TSHR (0.34) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL9752370 0.77 TSHR (0.34) TSHRMAPTCACNA1BAPBA1CYP3A4
Hydrogen Peroxide SCHEMBL28399931 0.76 SMN1; SMN2 (0.40) TSHRMAPTCACNA1BAPBA1CYP3A4

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-109181256-A A kind of unsaturated resin composition and preparation method thereof 江苏澳盛复合材料科技有限公司 2019-01-11 CN disclosed