SCHEMBL28953790

SCHEMBL28953790

COc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCCC4)cc3)oc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP8 P40818 13/20 1.00
CCNT1 O60563 5/20 0.67
CDK9 P50750 5/20 0.67
CCNA2 P20248 3/20 0.67
CDK2 P24941 3/20 0.67
GABRP O00591 1/20 0.67
GABRD O14764 1/20 0.67
KDM1A O60341 1/20 0.67
PKM P14618 1/20 0.67
GABRA1 P14867 1/20 0.67
GABRB1 P18505 1/20 0.67
GABRG2 P18507 1/20 0.67
CCNC P24863 1/20 0.67
GABRB3 P28472 1/20 0.67
GABRA5 P31644 1/20 0.67
GABRA3 P34903 1/20 0.67
PTGS2 P35354 1/20 0.67
GABRA2 P47869 1/20 0.67
GABRB2 P47870 1/20 0.67
GABRA4 P48169 1/20 0.67

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
SCHEMBL22667248 0.91 USP8 (1.00) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667252 0.90 USP8 (0.92) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667253 0.87 USP8 (1.00) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL21647176 0.83 USP8 (0.72) USP8CCNT1CDK9BCL2
SCHEMBL28978231 0.83 USP8 (0.72) USP8GABRPGABRDGABRA1GABRB1
4'-Hydroxywogonin SCHEMBL29455103 0.83 GABRP (0.81) USP8CCNT1CDK9CCNA2CDK2
4'-Hydroxywogonin SCHEMBL738981 0.83 GABRP (0.81) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL28848511 0.83 USP8 (0.70) USP8CCNT1CDK9CCNA2CDK2
Wogonin SCHEMBL27763356 0.83 GABRP (0.79) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667251 0.82 USP8 (0.81) USP8CCNT1CDK9CCNA2CDK2

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