SCHEMBL1014402

SCHEMBL1014402

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.35
▸ SLC5A2 P31639 1/20 0.35
▸ PTPN1 P18031 2/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ BACE1 P56817 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ P4HB P07237 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL1014490 0.85 LGALS8 (0.36) PTPN1
SCHEMBL1014572 0.85 TK2 (0.32) —
SCHEMBL16028497 0.74 CYP19A1 (0.53) ACHESLC5A2PTPN1EPHX2BACE1
SCHEMBL16029264 0.69 ACHE (0.38) ACHESLC5A2PTPN1EPHX2BACE1
SCHEMBL31465656 0.66 CYP19A1 (0.44) SLC5A2MEN1KMT2AEPHX2POLB
SCHEMBL1535982 0.66 TAS2R46 (0.53) ACHESLC5A2PTPN1MEN1KMT2A
SCHEMBL29425979 0.62 ACHE (0.40) ACHEPTPN1
SCHEMBL14975517 0.61 SLC5A2 (0.61) ACHESLC5A2
SCHEMBL14975518 0.61 SLC5A2 (0.61) ACHESLC5A2
SCHEMBL16227542 0.61 SLC5A2 (0.61) ACHESLC5A2

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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