SCHEMBL28699103

SCHEMBL28699103

[CH2]CC(=O)OC(=O)c1ccc(C(=O)O)o1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.43
POLB P06746 4/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL7870939 0.82 TDP1 (0.48) TDP1POLBKMT2ANPC1RAB9A
Ethylene SCHEMBL28282927 0.73 TDP1 (0.56) TDP1POLBKMT2AMEN1HSD17B10
Ethylene SCHEMBL15068230 0.73 TDP1 (0.56) TDP1POLBKMT2AMEN1HSD17B10
SCHEMBL27925985 0.73 ALDH1A1 (0.54) TDP1POLBKMT2ANPC1RAB9A
SCHEMBL15095081 0.73 HDAC4 (0.50) TDP1POLBKMT2ANPC1RAB9A
SCHEMBL38726 0.73 TDP1 (0.61) TDP1POLBKMT2AMEN1HSD17B10
SCHEMBL11904537 0.73 TDP1 (0.61) TDP1POLBKMT2AMEN1HSD17B10
SCHEMBL23270946 0.73 KMT2A (0.50) TDP1POLBKMT2ANPC1RAB9A
SCHEMBL28673640 0.72 HDAC4 (0.40) TDP1POLBKMT2ANPC1RAB9A
Ethylene Glycol SCHEMBL28237462 0.71 POLB (0.48) TDP1POLBKMT2ANPC1RAB9A

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-113845499-A Method for synthesizing 2, 5-furandicarboxylic acid by using N-heterocyclic carbene to catalyze carbon dioxide 南京先进生物材料与过程装备研究院有限公司 2021-12-28 CN disclosed