SCHEMBL28848503

SCHEMBL28848503

Cc1ccc(S(=O)(=O)O)c(-c2cc(OCc3ccccc3)c(O)c3oc(-c4ccc(F)cc4)cc(=O)c23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.48
ACHE P22303 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.42
CREB1 P16220 1/20 0.42
CYP1A1 P04798 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP1B1 Q16678 2/20 0.42
MAPT P10636 4/20 0.41
ABCB1 P08183 2/20 0.41
PPARG P37231 1/20 0.39
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KIT P10721 1/20 0.38
POLB P06746 2/20 0.38
INPPL1 O15357 1/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL29195640 0.86 BCHE (0.47) BCHEACHEL3MBTL1CREB1CYP1A1
SCHEMBL29876405 0.84 MAPT (0.54) BCHEACHEL3MBTL1CREB1MAPT
SCHEMBL28848495 0.83 CDK2 (0.41) BCHEACHEL3MBTL1CREB1CYP1A1
SCHEMBL28848502 0.81 BCHE (0.48) BCHEACHEL3MBTL1CREB1CYP1A1
SCHEMBL29876375 0.81 BCHE (0.48) BCHEACHEL3MBTL1CREB1CYP1A1
SCHEMBL28848526 0.80 ACHE (0.60) BCHEACHEL3MBTL1CREB1CYP1A1
SCHEMBL22667444 0.73 ABCB1 (0.54) BCHEACHEL3MBTL1CREB1CYP1A1
SCHEMBL25301059 0.73 ABCB1 (0.65) BCHEACHEL3MBTL1CREB1CYP1A1
SCHEMBL28848659 0.72 ACHE (0.67) BCHEACHECREB1CYP1A1CYP1A2
SCHEMBL28848654 0.68 KDM5A (0.52) BCHEACHECYP1A2MAPTABCB1

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