SCHEMBL1014572

SCHEMBL1014572

C=C1C(=O)O[C@@H]2[C@H]3C(CO[C@@H]4O[C@H](CO)[C@@H](OC(=O)Cc5ccc(O)cc5)[C@H](O)[C@H]4O)=CCC3=C(C)[C@H](O)C[C@@H]12

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TK2 O00142 2/20 0.32
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ SLC5A1 P13866 1/20 0.30

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
SCHEMBL1014490 0.94 LGALS8 (0.36) TK2SLC5A1
SCHEMBL1014402 0.85 ACHE (0.35) —
SCHEMBL29608220 0.64 PTPN1 (0.58) PRKCASLC5A1
SCHEMBL16028497 0.62 CYP19A1 (0.53) —
SCHEMBL28481755 0.59 PRKCA (0.70) PRKCA
SCHEMBL29655306 0.58 LGALS8 (0.41) TK2SLC5A1
SCHEMBL14215977 0.57 ALDH1A1 (0.48) —
SCHEMBL16029264 0.57 ACHE (0.38) —
SCHEMBL28867299 0.56 TYR (0.66) SLC5A1
SCHEMBL28712304 0.56 PRKCA (0.49) PRKCASLC5A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102186488-B Pharmaceutical composition and health food composition containing youngia denticulata extract, fraction thereof, or compound isolated therefrom as active ingredient for improving liver function KOREA INST SCI & TECH 2014-05-14 — — CN disclosed
CN-102186488-B Pharmaceutical composition and health food composition containing youngia denticulata extract, fraction thereof, or compound isolated therefrom as active ingredient for improving liver function KOREA INST SCI & TECH 2014-05-14 — — CN disclosed
CN-102186488-A Pharmaceutical composition and health food composition containing youngia denticulata extract, fraction thereof, or compound isolated therefrom as active ingredient for improving liver function KOREA INST SCI & TECH 2011-09-14 — — CN disclosed
CN-102186488-A Pharmaceutical composition and health food composition containing youngia denticulata extract, fraction thereof, or compound isolated therefrom as active ingredient for improving liver function KOREA INST SCI & TECH 2011-09-14 — — CN disclosed
WO-2010090498-A3 PHARMACEUTICAL COMPOSITION AND HEALTH FOOD COMPOSITION CONTAINING YOUNGIA DENTICULATA EXTRACT, FRACTION THEREOF, OR COMPOUND ISOLATED THEREFROM AS ACTIVE INGREDIENT FOR IMPROVING LIVER FUNCTION 한국과학기술연구원 (KR) 2011-01-06 — — WO disclosed
WO-2010090498-A2 PHARMACEUTICAL COMPOSITION AND HEALTH FOOD COMPOSITION CONTAINING YOUNGIA DENTICULATA EXTRACT, FRACTION THEREOF, OR COMPOUND ISOLATED THEREFROM AS ACTIVE INGREDIENT FOR IMPROVING LIVER FUNCTION 한국과학기술연구원 (KR) 2010-08-12 — — WO disclosed
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