SCHEMBL28296933

SCHEMBL28296933

CC=CC(O)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
ATM Q13315 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
ALOX12 P18054 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
GAA P10253 1/20 0.36
IDO1 P14902 1/20 0.36
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL19992867 0.77 TDP1 (0.54) TDP1ATMMEN1KMT2ATSHR
SCHEMBL18416407 0.77 TDP1 (0.54) TDP1ATMMEN1KMT2ATSHR
SCHEMBL646260 0.74 TDP1 (0.44) TDP1ATMTSHRHSD17B10ALDH1A1
SCHEMBL21891545 0.74 CA12 (0.47) TDP1ATMTSHRHSD17B10ALDH1A1
SCHEMBL21870773 0.72 TDP1 (0.43) TDP1ATMMEN1KMT2ATSHR
SCHEMBL20213681 0.71 ALDH1A1 (0.60) TDP1ATMMEN1KMT2ATSHR
SCHEMBL20213682 0.71 ALDH1A1 (0.60) TDP1ATMMEN1KMT2ATSHR
SCHEMBL42138 0.70 TDP1 (0.64) TDP1ATMMEN1KMT2ATSHR
SCHEMBL5993024 0.69 CA12 (0.42) TDP1ATMTSHRHSD17B10ALDH1A1
SCHEMBL21162820 0.69 TDP1 (0.55) TDP1ATMMEN1KMT2ATSHR

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-109794292-A Z- selectivity ruthenium Cabbeen olefin metathesis catalyst and the preparation method and application thereof 天津大学 2019-05-24 CN disclosed