SCHEMBL29443566

SCHEMBL29443566

COc1ccc(C(=O)/C=C/c2cccc(Cl)c2)c(OC)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.75
MAPT P10636 4/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
NPC1 O15118 1/20 0.74
RAB9A P51151 1/20 0.74
TNFRSF1A P19438 1/20 0.70
CYP3A4 P08684 3/20 0.65
CYP1A2 P05177 2/20 0.65
CYP2D6 P10635 2/20 0.65
CYP1A1 P04798 1/20 0.65
CYP1B1 Q16678 1/20 0.65
XDH P47989 1/20 0.65
ABCB1 P08183 1/20 0.63
USP2 O75604 1/20 0.61
MAPK1 P28482 1/20 0.61
TLR9 Q9NR96 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
PDE4A P27815 1/20 0.61
PDE4B Q07343 1/20 0.61

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
SCHEMBL18742697 1.00 ABCG2 (0.75) ABCG2MAPTMEN1KMT2ANPC1
SCHEMBL29733424 0.90 ABCG2 (0.61) ABCG2MAPTMEN1KMT2ANPC1
SCHEMBL28350603 0.90 ABCG2 (0.61) ABCG2MAPTMEN1KMT2ANPC1
SCHEMBL29443563 0.90 MAPT (0.82) ABCG2MAPTMEN1KMT2ANPC1
SCHEMBL25280331 0.87 MAPT (0.78) ABCG2MAPTMEN1KMT2ANPC1
SCHEMBL25198778 0.87 MAPT (0.78) ABCG2MAPTMEN1KMT2ANPC1
SCHEMBL30138915 0.86 MAPT (0.76) ABCG2MAPTMEN1KMT2ANPC1
SCHEMBL29443572 0.86 ABCG2 (1.00) ABCG2MAPTMEN1KMT2ANPC1
SCHEMBL4030789 0.85 MAPT (1.00) ABCG2MAPTMEN1KMT2ANPC1
SCHEMBL4030793 0.85 MAPT (1.00) ABCG2MAPTMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115433073-B Preparation method and application of kava piperine B analogue 兰州大学 2024-04-19 CN disclosed
CN-115433073-A Preparation method and application of kava piperine B analogue 兰州大学 2022-12-06 CN disclosed
CN-114426470-A Application of human PCID2 protein in preparation or screening of antitumor drugs and compound with antitumor activity 兰州大学第一医院 2022-05-03 CN disclosed
CN-112870363-B Application of human PCID2 protein in preparation or screening of antitumor drugs and compound with antitumor activity 兰州大学第一医院 2022-02-18 CN disclosed