SCHEMBL29639586

SCHEMBL29639586

COc1c(C(C)=O)ccc2oc(-c3ccc(OCc4ccccc4)cc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
MAOB P27338 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP1B1 Q16678 1/20 0.48
ANO1 Q5XXA6 1/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
ABCB1 P08183 2/20 0.45
MAPT P10636 1/20 0.45
HIF1A Q16665 1/20 0.45
PKM P14618 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
PRKDC P78527 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44

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
SCHEMBL28738874 1.00 CASP3 (0.52) CASP3SENP8SENP7SENP6MAOB
SCHEMBL29021406 0.87 MAOB (0.56) CASP3SENP8SENP7SENP6MAOB
SCHEMBL29639599 0.87 MAOB (0.56) CASP3SENP8SENP7SENP6MAOB
SCHEMBL29639592 0.86 L3MBTL1 (0.46) CASP3SENP8SENP7SENP6MAOB
SCHEMBL28738854 0.86 L3MBTL1 (0.46) CASP3SENP8SENP7SENP6MAOB
SCHEMBL30406675 0.86 CYP1A1 (0.53) CASP3SENP8SENP7SENP6MAOB
SCHEMBL29639588 0.86 CYP1A1 (0.53) CASP3SENP8SENP7SENP6MAOB
SCHEMBL28738858 0.86 CYP1A1 (0.53) CASP3SENP8SENP7SENP6MAOB
SCHEMBL28738863 0.85 L3MBTL1 (0.43) CASP3SENP8SENP7SENP6MAOB
SCHEMBL29639601 0.85 L3MBTL1 (0.43) CASP3SENP8SENP7SENP6MAOB

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-114507201-B Water wampee seed element derivative and preparation method and application thereof 常州大学 2023-06-27 CN disclosed
CN-114507201-A Cortinarius fruit seed derivative and preparation method and application thereof 常州大学 2022-05-17 CN disclosed