SCHEMBL29639601

SCHEMBL29639601

COc1c(C(C)=O)ccc2oc(-c3ccc(OCc4ccccc4)c(Cl)c3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A1 P04798 2/20 0.42
CYP1A2 P05177 2/20 0.42
MRGPRX4 Q96LA9 4/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MCL1 Q07820 1/20 0.41
PDE4D Q08499 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
MAOB P27338 1/20 0.39
KCNA3 P22001 1/20 0.39
PTGER1 P34995 1/20 0.39

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
SCHEMBL29639603 1.00 L3MBTL1 (0.43) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL28738863 1.00 L3MBTL1 (0.43) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL28738854 0.90 L3MBTL1 (0.46) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL29639592 0.90 L3MBTL1 (0.46) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL28738856 0.89 L3MBTL1 (0.52) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL29639587 0.89 L3MBTL1 (0.52) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL29639597 0.87 CYP1A1 (0.49) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL29639590 0.87 CYP1A1 (0.49) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL28738874 0.85 CASP3 (0.52) L3MBTL1MAPTCYP1A1CYP1A2CASP3
SCHEMBL29639586 0.85 CASP3 (0.52) L3MBTL1MAPTCYP1A1CYP1A2CASP3

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