SCHEMBL24799994

SCHEMBL24799994

C/C=C\C(=C/C)C(=O)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
KEAP1 Q14145 1/20 0.50
PLAAT5 Q96KN8 3/20 0.47
PLAAT4 Q9UL19 3/20 0.47
GPR52 Q9Y2T5 1/20 0.47
FFAR1 O14842 1/20 0.47
HDAC2 Q92769 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
PLAAT3 P53816 2/20 0.44
PLAAT2 Q9NWW9 2/20 0.44
KMT2A Q03164 1/20 0.44
HDAC1 Q13547 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43

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
SCHEMBL25086034 0.89 ALDH1A1 (0.47) ALDH1A1KEAP1PLAAT5PLAAT4GPR52
SCHEMBL24799707 0.85 GPR52 (0.47) ALDH1A1KEAP1PLAAT5PLAAT4GPR52
SCHEMBL13551822 0.84 ALDH1A1 (0.46) ALDH1A1KEAP1PLAAT5PLAAT4GPR52
SCHEMBL8313589 0.82 CES1 (0.57) ALDH1A1GPR52HDAC8HDAC6KMT2A
SCHEMBL7296570 0.80 GPR52 (0.66) ALDH1A1KEAP1GPR52FFAR1HDAC2
SCHEMBL7296577 0.80 GPR52 (0.66) ALDH1A1KEAP1GPR52FFAR1HDAC2
SCHEMBL4279627 0.77 KEAP1 (0.73) ALDH1A1KEAP1PLAAT5PLAAT4GPR52
Maleic Acid SCHEMBL29485937 0.76 GPR52 (0.60) ALDH1A1KEAP1GPR52FFAR1HDAC2
SCHEMBL22145183 0.76 PLAAT5 (0.56) ALDH1A1PLAAT5PLAAT4PLAAT3PLAAT2
SCHEMBL108977 0.74 ALDH1A1 (0.69) ALDH1A1KEAP1PLAAT5PLAAT4FFAR1

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
EP-4108777-A1 BIFUNCTIONAL C-GLYCOSIDE GLYCOSYLTRANSFERASES AND APPLICATION THEREOF CAS Center for Excellence in Molecular Plant Sciences (CN) 2022-12-28 EP disclosed