SCHEMBL28879147

SCHEMBL28879147

C=C(NC(C)=O)C(=O)O.C=CCOCC=C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 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
Methacrylic Acid SCHEMBL28213805 0.80 TDP1 (0.35) MAPTCACNA1BAPBA1ALOX15HSD17B10
Methacrylic Acid SCHEMBL173936 0.80 TDP1 (0.35) MAPTCACNA1BAPBA1ALOX15HSD17B10
Methacrylic Acid SCHEMBL27716215 0.80 TDP1 (0.35) MAPTCACNA1BAPBA1ALOX15HSD17B10
SCHEMBL346338 0.79
Acetic Acid SCHEMBL27627871 0.77 FFAR3 (0.39) MAPTCACNA1BAPBA1HSD17B10TDP1
Acetic Acid SCHEMBL131569 0.77 FFAR3 (0.39) MAPTCACNA1BAPBA1HSD17B10TDP1
Methyl Alcohol SCHEMBL8740635 0.77 CRBN (0.39) TDP1
Methacrylic Acid SCHEMBL11113770 0.76 MEN1 (0.36) ALOX15HSD17B10TDP1
SCHEMBL15080651 0.76 CRBN (0.35)
SCHEMBL370108 0.76 MAPT (0.41) MAPTCACNA1BAPBA1HSD17B10TDP1

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-110403897-A A kind of stem cell toner ZHU YU 2019-11-05 CN disclosed