SCHEMBL29443572

SCHEMBL29443572

COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 1.00
MAPT P10636 4/20 0.84
TNFRSF1A P19438 1/20 0.84
XDH P47989 1/20 0.78
MAOB P27338 4/20 0.76
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
NPC1 O15118 1/20 0.76
RAB9A P51151 1/20 0.76
USP2 O75604 1/20 0.73
MAPK1 P28482 1/20 0.73
TLR9 Q9NR96 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
PDE4A P27815 1/20 0.65
PDE4B Q07343 1/20 0.65
PDE4C Q08493 1/20 0.65
PDE4D Q08499 1/20 0.65
MAOA P21397 1/20 0.64
FLT3 P36888 1/20 0.64

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
Metochalcone SCHEMBL29412185 0.92 ABCG2 (1.00) ABCG2MAPTTNFRSF1AXDHMAOB
Metochalcone SCHEMBL4957703 0.92 ABCG2 (1.00) ABCG2MAPTTNFRSF1AXDHMAOB
Metochalcone SCHEMBL309111 0.92 ABCG2 (1.00) ABCG2MAPTTNFRSF1AXDHMAOB
Metochalcone SCHEMBL29412184 0.92 ABCG2 (1.00) ABCG2MAPTTNFRSF1AXDHMAOB
SCHEMBL29733401 0.89 ABCG2 (0.80) ABCG2MAPTTNFRSF1AXDHMAOB
SCHEMBL28353869 0.89 ABCG2 (0.80) ABCG2MAPTTNFRSF1AXDHMAOB
SCHEMBL19183195 0.89 ABCG2 (0.86) ABCG2MAPTTNFRSF1AXDHMAOB
SCHEMBL19183196 0.89 ABCG2 (0.86) ABCG2MAPTTNFRSF1AXDHMAOB
SCHEMBL21527710 0.88 XDH (1.00) ABCG2MAPTTNFRSF1AXDHMAOB
SCHEMBL21527708 0.88 XDH (1.00) ABCG2MAPTTNFRSF1AXDHMAOB

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