SCHEMBL29066067

SCHEMBL29066067

COc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.68
▸ GAA P10253 3/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ MAPT P10636 5/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ LMNA P02545 3/20 0.64
▸ MCL1 Q07820 2/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ GFER P55789 1/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.63
▸ TP53 P04637 1/20 0.63
▸ POLB P06746 1/20 0.62
▸ HSD11B1 P28845 1/20 0.60
▸ RAB9A P51151 1/20 0.58
▸ PRNP P04156 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ ATM Q13315 1/20 0.57

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
SCHEMBL29066077 0.91 ATM (0.64) ABCB1GAAALDH1A1KDM4EMAPT
SCHEMBL6348516 0.88 ABCB1 (0.68) ABCB1GAAALDH1A1KDM4EMAPT
SCHEMBL6720216 0.86 MEN1 (0.62) ABCB1GAAALDH1A1KDM4EMAPT
SCHEMBL28653236 0.84 ABCB1 (0.74) ABCB1GAAALDH1A1KDM4EMAPT
SCHEMBL8348359 0.84 AURKB (0.64) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8024676 0.83 MEN1 (0.77) ABCB1GAAALDH1A1KDM4EMAPT
SCHEMBL16675161 0.83 ABCB1 (0.68) ABCB1GAAALDH1A1KDM4EMAPT
SCHEMBL16675167 0.83 ABCB1 (0.68) ABCB1GAAALDH1A1KDM4EMAPT
SCHEMBL16681578 0.82 ATM (0.68) ABCB1GAAALDH1A1KDM4EMAPT
SCHEMBL13293386 0.82 AURKB (0.63) GAAALDH1A1MAPTMEN1KMT2A

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-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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