SCHEMBL18656512

SCHEMBL18656512

COc1ccc(-c2cc(=O)c3c(OC)cc(OI)cc3o2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.85
▸ MEN1 O00255 5/20 0.70
▸ KMT2A Q03164 5/20 0.70
▸ ALDH1A1 P00352 4/20 0.70
▸ KDM4E B2RXH2 3/20 0.70
▸ NPC1 O15118 3/20 0.70
▸ RAB9A P51151 3/20 0.70
▸ ABCG2 Q9UNQ0 1/20 0.70
▸ MAPT P10636 3/20 0.65
▸ CYP3A4 P08684 2/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ HPGD P15428 1/20 0.65
▸ HSD17B10 Q99714 1/20 0.65
▸ FLT3 P36888 3/20 0.62
▸ MAOB P27338 10/20 0.62
▸ CYP19A1 P11511 1/20 0.62
▸ MAOA P21397 5/20 0.60
▸ USP2 O75604 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ TP53 P04637 1/20 0.60

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
Trimethylapigenin SCHEMBL29350875 0.92 ABCB1 (1.00) ABCB1MEN1KMT2AALDH1A1KDM4E
Trimethylapigenin SCHEMBL1421585 0.92 ABCB1 (1.00) ABCB1MEN1KMT2AALDH1A1KDM4E
SCHEMBL17193739 0.85 ABCB1 (0.87) ABCB1MEN1KMT2AALDH1A1KDM4E
SCHEMBL20100895 0.85 ABCB1 (0.82) ABCB1MEN1KMT2AALDH1A1KDM4E
SCHEMBL4279323 0.84 ABCB1 (0.80) ABCB1MEN1KMT2AALDH1A1KDM4E
SCHEMBL29978577 0.83 ABCB1 (0.82) ABCB1MEN1KMT2AALDH1A1KDM4E
SCHEMBL17185527 0.83 ABCB1 (0.82) ABCB1MEN1KMT2AALDH1A1KDM4E
SCHEMBL311530 0.83 ABCB1 (0.82) ABCB1MEN1KMT2AALDH1A1KDM4E
SCHEMBL22667395 0.83 ABCB1 (0.82) ABCB1MEN1KMT2AALDH1A1KDM4E
SCHEMBL28280309 0.83 ABCB1 (0.82) ABCB1MEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2902399-B1 Water-soluble derivatives and prodrugs of acacetin and methods of making and using thereof VERSITECH LTD (CN) 2017-03-22 — — EP disclosed
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