SCHEMBL29785300

SCHEMBL29785300

C=C1CC(OC(=O)C(O)Cc2ccc(O)cc2)C2C(=C)C(=O)OC2C2C(=C)C(OC3OC(CO)C(O)C(O)C3O)CC12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 4/20 0.35
▸ SLC5A2 P31639 2/20 0.34
▸ HSP90AA1 P07900 6/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TYR P14679 1/20 0.33
▸ EPHX2 P34913 2/20 0.32
▸ SLCO2B1 O94956 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
Vernoflexuoside SCHEMBL1644624 0.72 PTPN1 (0.38) SLC6A2KDM4EMAPTPTPN1
SCHEMBL31092250 0.65 MAPT (0.43) PPARGKDM4EMAPTPTPN1
SCHEMBL15173027 0.64 SYNJ2 (0.39) MAPTPTPN1
Cynaropicrin SCHEMBL1711522 0.62 MAPT (0.42) KDM4EMAPTPTPN1
SCHEMBL27718878 0.61 PPARG (0.63) SLC5A1SLC5A2PPARGPPARDPPARA
SCHEMBL17918955 0.59 TYR (0.50) SLC5A1SLC5A2PPARGPPARDPPARA
SCHEMBL18180917 0.59 MAPT (0.48) MAPTPTPN1
SCHEMBL18821488 0.58 TYR (0.61) SLC5A1SLC5A2PPARGPPARDPPARA
Cellobiose SCHEMBL21001734 0.58 SLC7A5 (0.49) SLC5A1SLC5A2KDM4EMAPTTYR
SCHEMBL21109458 0.58 CLEC4M (0.45) SLC5A1SLC5A2PPARGPPARDPPARA

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-114787851-A Customized cosmetic providing system 株式会社LG生活健康 2022-07-22 — — CN disclosed
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