SCHEMBL8069096

SCHEMBL8069096

COc1c(OCc2ccccc2)cc(O)c(C=CC(=O)c2ccc(OC=S)cc2)c1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.55
▸ MAOB P27338 2/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ APP P05067 2/20 0.46
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CYSLTR2 Q9NS75 1/20 0.43
▸ CYSLTR1 Q9Y271 1/20 0.43
▸ TNFRSF1A P19438 1/20 0.43
▸ GSK3B P49841 1/20 0.42
▸ BACE1 P56817 1/20 0.42

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
SCHEMBL8052896 0.91 MAOB (0.61) PTPN1MAOBABCG2APPPDE4A
SCHEMBL8066940 0.89 PTPN1 (0.55) PTPN1MAOBABCG2APPPDE4A
SCHEMBL8063139 0.85 TNFRSF1A (0.53) PTPN1MAOBABCG2APPPDE4A
SCHEMBL8052867 0.84 TNFRSF1A (0.58) PTPN1ABCG2PDE4APDE4BPDE4C
SCHEMBL8064254 0.84 TNFRSF1A (0.55) PTPN1MAOBABCG2PDE4APDE4B
SCHEMBL8064252 0.84 TNFRSF1A (0.55) PTPN1MAOBABCG2PDE4APDE4B
SCHEMBL8066764 0.79 TNFRSF1A (0.54) PTPN1ABCG2PDE4APDE4BPDE4C
SCHEMBL17237769 0.79 MAOB (0.67) PTPN1MAOBABCG2APPMEN1
SCHEMBL8069081 0.79 TNFRSF1A (0.52) PTPN1MAOBABCG2PDE4APDE4B
SCHEMBL8066918 0.78 TNFRSF1A (0.51) PTPN1ABCG2PDE4APDE4BPDE4C

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
US-6025387-A Gastroprotective flavone/flavanone compounds with therapeutic effect on inflammatory bowel disease DONG A PHARMACEUTICAL CO., LTD. (KR) 2000-02-15 — — US disclosed
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