SCHEMBL28540932

SCHEMBL28540932

C=CCOC(=O)[C@@H](N)CCNC=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL28537547 1.00 MAPT (0.37) MAPTCACNA1BAPBA1TDP1CYP3A4
SCHEMBL8308294 0.79 ADH1B (0.37)
SCHEMBL7950462 0.77 TDP1 (0.39) MAPTCACNA1BAPBA1TDP1CYP3A4
SCHEMBL3808776 0.75 TDP1 (0.38) MAPTCACNA1BAPBA1TDP1CYP3A4
SCHEMBL27429594 0.75 TDP1 (0.38) MAPTCACNA1BAPBA1TDP1CYP3A4
SCHEMBL27378484 0.75 TDP1 (0.38) MAPTCACNA1BAPBA1TDP1CYP3A4
SCHEMBL16703744 0.75 TDP1 (0.38) MAPTCACNA1BAPBA1TDP1CYP3A4
SCHEMBL19259278 0.75 KDM4E (0.43) MAPTCACNA1BAPBA1TDP1TSHR
SCHEMBL8309760 0.74 ADH1B (0.44) MAPTTSHRALDH1A1
SCHEMBL26655366 0.74 DDAH1 (0.45) MAPTCACNA1BAPBA1TDP1CYP3A4

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-109467705-B Amino acid based spiral polysilane material and preparation method thereof 东南大学 2021-03-26 CN disclosed