SCHEMBL28973045

SCHEMBL28973045

O=C1C=CC(=O)C(CCC(=O)O)=C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
KEAP1 Q14145 1/20 0.39
FFAR1 O14842 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
F13A1 P00488 3/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPRB P23467 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
PTEN P60484 1/20 0.33

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
SCHEMBL1672539 0.86 ACHE (0.58) ACHEBACE1MAOAMAOBF13A1
SCHEMBL10766402 0.85 ACHE (0.61) ACHEBACE1MAOAMAOBF13A1
SCHEMBL8144583 0.82 ACHE (0.52) ACHEBACE1MAOAMAOBMEN1
SCHEMBL7915011 0.79 ACHE (0.61) ACHEBACE1MAOAMAOBMEN1
SCHEMBL3059624 0.78 MAOA (0.48) ACHEBACE1MAOAMAOBMEN1
Hexanoate SCHEMBL10767527 0.78 ACHE (0.76) ACHEBACE1FFAR1MEN1ALDH1A1
SCHEMBL5712758 0.76 ACHE (0.53) ACHEBACE1MAOAMAOBMEN1
SCHEMBL20087552 0.75 ACHE (0.69) ACHEBACE1MAOAMAOBMEN1
SCHEMBL27746187 0.75 ALDH1A1 (0.51) ACHEBACE1FFAR1NPSR1MEN1
Water SCHEMBL10597680 0.74 ACHE (0.52) ACHEBACE1MAOAMAOBMEN1

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-115685676-A Photosensitive transfer material, light-shielding material, LED array, and electronic device 富士胶片株式会社 2023-02-03 CN disclosed