SCHEMBL29876375

SCHEMBL29876375

Cc1ccc(S(=O)(=O)Oc2cc(OCc3ccccc3)c(O)c3oc(-c4ccc(F)cc4)cc(=O)c23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.42
CREB1 P16220 1/20 0.42
CYP1A1 P04798 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP1B1 Q16678 1/20 0.42
MAPT P10636 4/20 0.41
ABCB1 P08183 1/20 0.41
PLG P00747 3/20 0.40
PPARG P37231 1/20 0.40
ELANE P08246 2/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KIT P10721 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 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
SCHEMBL28848502 1.00 BCHE (0.48) BCHEACHEL3MBTL1CREB1CYP1A1
SCHEMBL28848493 0.82 CDK2 (0.42) BCHEACHEL3MBTL1CYP1A1CYP1A2
SCHEMBL28848503 0.81 BCHE (0.48) BCHEACHEL3MBTL1CREB1CYP1A1
SCHEMBL28848526 0.81 ACHE (0.60) BCHEACHEL3MBTL1CREB1CYP1A1
SCHEMBL29195640 0.80 BCHE (0.47) BCHEACHEL3MBTL1CREB1CYP1A1
SCHEMBL25301059 0.74 ABCB1 (0.65) BCHEACHEL3MBTL1CREB1CYP1A1
SCHEMBL28848659 0.72 ACHE (0.67) BCHEACHECREB1CYP1A1CYP1A2
SCHEMBL22667444 0.72 ABCB1 (0.54) BCHEACHEL3MBTL1CREB1CYP1A1
SCHEMBL28848654 0.69 KDM5A (0.52) BCHEACHECYP1A2MAPTABCB1
SCHEMBL28848656 0.68 ACHE (0.51) BCHEACHEL3MBTL1CREB1CYP1A1

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-114957182-B USP8 inhibitor containing flavone skeleton structure and application thereof 中国药科大学 2024-03-15 CN disclosed
CN-114957182-A USP8 inhibitor containing flavone skeleton structure and application thereof 中国药科大学 2022-08-30 CN disclosed