SCHEMBL29066077

SCHEMBL29066077

COc1cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.64
▸ STAT3 P40763 1/20 0.62
▸ AURKB Q96GD4 1/20 0.60
▸ ABCB1 P08183 1/20 0.59
▸ MAPT P10636 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ TP53 P04637 1/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ GAA P10253 2/20 0.59
▸ P4HTM Q9NXG6 1/20 0.59
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ GFER P55789 1/20 0.57
▸ MCL1 Q07820 1/20 0.57
▸ SLC22A6 Q4U2R8 1/20 0.57
▸ SLC22A8 Q8TCC7 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ NAMPT P43490 1/20 0.56

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
SCHEMBL29066067 0.91 ABCB1 (0.68) ATMABCB1MAPTSMN1; SMN2TP53
SCHEMBL2218172 0.88 ATM (0.64) ATMSTAT3ABCB1MAPTSMN1; SMN2
SCHEMBL6349892 0.88 ATM (0.68) ATMSTAT3ABCB1MAPTSMN1; SMN2
SCHEMBL12435944 0.86 ATM (0.59) ATMSTAT3ABCB1MAPTSMN1; SMN2
SCHEMBL12436011 0.85 ATM (0.64) ATMSTAT3ABCB1MAPTSMN1; SMN2
SCHEMBL9616929 0.84 AURKB (0.68) AURKBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8348359 0.84 AURKB (0.64) AURKBMAPTSMN1; SMN2TP53MEN1
SCHEMBL10904567 0.84 AURKB (0.72) AURKBMAPTSMN1; SMN2GAAMEN1
SCHEMBL16675161 0.83 ABCB1 (0.68) ATMABCB1MAPTSMN1; SMN2TP53
SCHEMBL16675167 0.83 ABCB1 (0.68) ATMABCB1MAPTSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116535304-B Erianin analogue, and synthetic method and application thereof 中国科学院成都生物研究所 2024-07-19 — — CN disclosed
CN-116535304-A Erianin analogue, and synthetic method and application thereof 中国科学院成都生物研究所 2023-08-04 — — CN disclosed
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