SCHEMBL5520871

SCHEMBL5520871

CC(C)c1ccc(/C=C/C(=O)O)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
POLB P06746 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 5/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 6/20 0.47
MAPT P10636 5/20 0.47
PKM P14618 3/20 0.47
HTT P42858 1/20 0.47
HCAR2 Q8TDS4 4/20 0.46
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 3/20 0.44
RARA P10276 1/20 0.43
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC3 O15379 1/20 0.39
TNKS O95271 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL8920938 0.82 KMT2A (0.63) KMT2APOLBL3MBTL1TDP1KDM4E
SCHEMBL8920930 0.82 KMT2A (0.63) KMT2APOLBL3MBTL1TDP1KDM4E
SCHEMBL2720407 0.77 MAPT (0.74) KMT2APOLBL3MBTL1TDP1KDM4E
SCHEMBL2720405 0.77 MAPT (0.74) KMT2APOLBL3MBTL1TDP1KDM4E
SCHEMBL17491876 0.75 POLB (0.56) KMT2APOLBL3MBTL1TDP1KDM4E
SCHEMBL17491875 0.75 POLB (0.56) KMT2APOLBL3MBTL1TDP1KDM4E
SCHEMBL5038625 0.74 MAPT (0.51) KMT2APOLBL3MBTL1TDP1KDM4E
SCHEMBL5038629 0.74 MAPT (0.51) KMT2APOLBL3MBTL1TDP1KDM4E
SCHEMBL17491864 0.73 KMT2A (0.54) KMT2APOLBL3MBTL1TDP1KDM4E
SCHEMBL14300686 0.73 MAOA (0.58) KMT2APOLBL3MBTL1TDP1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed