SCHEMBL28848485

SCHEMBL28848485

O=C(O)C(=CO)Oc1c(OCc2ccccc2)cc(O)c2c(=O)cc(-c3ccc(F)cc3)oc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.50
BCHE P06276 1/20 0.50
MAPT P10636 2/20 0.47
ABCB1 P08183 2/20 0.47
PLK1 P53350 1/20 0.47
BACE1 P56817 1/20 0.47
CREB1 P16220 1/20 0.46
CDK2 P24941 2/20 0.45
CDK9 P50750 2/20 0.45
MET P08581 1/20 0.45
KDM4E B2RXH2 2/20 0.45
KDM1A O60341 3/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
CCNT1 O60563 1/20 0.44
PKM P14618 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
CCNA2 P20248 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
SCHEMBL29195654 0.90 ACHE (0.46) ACHEBCHEMAPTABCB1PLK1
SCHEMBL28848659 0.85 ACHE (0.67) ACHEBCHEMAPTABCB1PLK1
SCHEMBL28848526 0.82 ACHE (0.60) ACHEBCHEMAPTABCB1PLK1
SCHEMBL28848656 0.82 ACHE (0.51) ACHEBCHEMAPTABCB1PLK1
SCHEMBL28848654 0.80 KDM5A (0.52) ACHEBCHEMAPTABCB1PLK1
SCHEMBL28848517 0.79 ACHE (0.49) ACHEBCHEMAPTABCB1PLK1
SCHEMBL21335354 0.77 ACHE (0.77) ACHEBCHEMAPTABCB1PLK1
SCHEMBL28848525 0.77 USP8 (0.60) ACHEBCHEMAPTABCB1PLK1
SCHEMBL28848489 0.77 CDK9 (0.55) ACHEBCHEMAPTABCB1PLK1
SCHEMBL25301059 0.75 ABCB1 (0.65) ACHEBCHEMAPTABCB1PLK1

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