SCHEMBL29443544

SCHEMBL29443544

COc1ccc(C(=O)/C=C/c2ccccc2Cl)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 8/20 1.00
▸ MAPT P10636 5/20 0.71
▸ PDE4A P27815 1/20 0.70
▸ PDE4B Q07343 1/20 0.70
▸ PDE4C Q08493 1/20 0.70
▸ PDE4D Q08499 1/20 0.70
▸ NPC1 O15118 3/20 0.68
▸ RAB9A P51151 3/20 0.68
▸ MEN1 O00255 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ MAOB P27338 2/20 0.66
▸ TNFRSF1A P19438 1/20 0.64
▸ XDH P47989 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL30138922 0.90 ABCG2 (0.82) ABCG2MAPTPDE4APDE4BPDE4C
SCHEMBL29443580 0.88 MAPT (0.82) ABCG2MAPTPDE4APDE4BPDE4C
SCHEMBL30138726 0.86 ABCG2 (0.75) ABCG2MAPTPDE4APDE4BPDE4C
SCHEMBL30138963 0.86 ABCG2 (0.75) ABCG2MAPTPDE4APDE4BPDE4C
SCHEMBL19423222 0.85 ABCG2 (0.74) ABCG2MAPTNPC1RAB9AMEN1
SCHEMBL18742755 0.85 ABCG2 (0.73) ABCG2MAPTPDE4APDE4BPDE4C
SCHEMBL19182863 0.84 ABCG2 (0.86) ABCG2MAPTNPC1RAB9AKMT2A
SCHEMBL19182862 0.84 ABCG2 (0.86) ABCG2MAPTNPC1RAB9AKMT2A
SCHEMBL2462049 0.84 MAPT (1.00) ABCG2MAPTPDE4APDE4BPDE4C
SCHEMBL2462050 0.84 MAPT (1.00) ABCG2MAPTPDE4APDE4BPDE4C

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
Send feedback