SCHEMBL28054355

SCHEMBL28054355

CCOC(=O)/C(CCc1ccccc1)=C(/CCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KEAP1 Q14145 1/20 0.47
ABCB1 P08183 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 2/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
ALOX5 P09917 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL304577 0.95 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2TDP1ALDH1A1KEAP1
SCHEMBL304579 0.95 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2TDP1ALDH1A1KEAP1
SCHEMBL304796 0.85 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2TDP1ALDH1A1KEAP1
SCHEMBL26666242 0.84 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2TDP1ALDH1A1KEAP1
SCHEMBL800478 0.84 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2TDP1ALDH1A1KEAP1
SCHEMBL9860381 0.82 KEAP1 (0.67) SMN1; SMN2TDP1ALDH1A1KEAP1KMT2A
SCHEMBL10193600 0.82 KEAP1 (0.67) SMN1; SMN2TDP1ALDH1A1KEAP1KMT2A
SCHEMBL9860389 0.82 KEAP1 (0.67) SMN1; SMN2TDP1ALDH1A1KEAP1KMT2A
Alcohol SCHEMBL28404120 0.82 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2TDP1ALDH1A1KEAP1
SCHEMBL14390211 0.82 ALDH1A1 (0.47) L3MBTL1SMN1; SMN2TDP1ALDH1A1KEAP1

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-102964239-B metal-beta-lactamase inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-01-20 CN disclosed