SCHEMBL29115331

SCHEMBL29115331

COc1ccc(-c2cc(=O)oc3cc(O)cc(O)c23)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP1LC3B Q9GZQ8 1/20 0.68
▸ NOD2 Q9HC29 1/20 0.66
▸ ALDH1A1 P00352 7/20 0.64
▸ MAPT P10636 5/20 0.64
▸ CYP2D6 P10635 4/20 0.64
▸ MEN1 O00255 4/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ MAOA P21397 3/20 0.64
▸ CYP1B1 Q16678 3/20 0.64
▸ CYP3A4 P08684 3/20 0.64
▸ MAOB P27338 3/20 0.64
▸ MAPK1 P28482 3/20 0.64
▸ NPC1 O15118 3/20 0.64
▸ CYP1A2 P05177 3/20 0.64
▸ CYP2C9 P11712 3/20 0.64
▸ CYP2C19 P33261 3/20 0.64
▸ RAB9A P51151 3/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ LMNA P02545 2/20 0.64
▸ TP53 P04637 2/20 0.64

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
SCHEMBL30677926 1.00 MAP1LC3B (0.68) MAP1LC3BNOD2ALDH1A1MAPTCYP2D6
SCHEMBL8580581 0.86 MAP1LC3B (0.80) MAP1LC3BALDH1A1MAPTCYP2D6MEN1
SCHEMBL29435850 0.83 PLG (0.67) MAP1LC3BALDH1A1MAPTMEN1KMT2A
SCHEMBL29115369 0.82 MAP1LC3B (0.74) MAP1LC3BALDH1A1MAPTCYP2D6MEN1
SCHEMBL30677928 0.82 MAP1LC3B (0.74) MAP1LC3BALDH1A1MAPTCYP2D6MEN1
SCHEMBL3787335 0.81 MAP1LC3B (1.00) MAP1LC3BALDH1A1MAPTCYP2D6MEN1
SCHEMBL29115413 0.80 MAP1LC3B (0.76) MAP1LC3BALDH1A1MAPTCYP2D6MEN1
SCHEMBL3783693 0.80 ABCB1 (0.64) MAP1LC3BALDH1A1MAPTMEN1KMT2A
SCHEMBL26804774 0.80 NOD2 (1.00) NOD2ALDH1A1MAPTCYP2D6MEN1
Acacetin SCHEMBL107712 0.78 CYP1B1 (1.00) ALDH1A1MAPTCYP2D6MEN1KMT2A

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-117143093-A Protein degradation agent and preparation method and application thereof 中国科学院上海药物研究所 2023-12-01 — — CN disclosed
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