SCHEMBL1014490

SCHEMBL1014490

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 7/20 0.36
▸ TK2 O00142 2/20 0.34
▸ SLC5A1 P13866 2/20 0.32
▸ PTPN1 P18031 1/20 0.31
▸ LGALS3 P17931 2/20 0.31
▸ SLC6A2 P23975 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
SCHEMBL1014572 0.94 TK2 (0.32) TK2SLC5A1
SCHEMBL1014402 0.85 ACHE (0.35) PTPN1
SCHEMBL16028497 0.62 CYP19A1 (0.53) PTPN1
SCHEMBL29655306 0.61 LGALS8 (0.41) LGALS8TK2SLC5A1PTPN1LGALS3
SCHEMBL14215977 0.57 ALDH1A1 (0.48) PTPN1
SCHEMBL16029264 0.57 ACHE (0.38) PTPN1
SCHEMBL29655349 0.57 SLC5A1 (0.41) LGALS8SLC5A1PTPN1
SCHEMBL29655360 0.57 SLC5A1 (0.41) LGALS8SLC5A1PTPN1
SCHEMBL29608220 0.57 PTPN1 (0.58) SLC5A1PTPN1
SCHEMBL28867299 0.56 TYR (0.66) SLC5A1

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
Send feedback