SCHEMBL8052896

SCHEMBL8052896

COc1ccc(C(=O)C=Cc2c(O)cc(OCc3ccccc3)c(OC)c2OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.61
▸ PTPN1 P18031 1/20 0.59
▸ ABCG2 Q9UNQ0 1/20 0.52
▸ TNFRSF1A P19438 2/20 0.52
▸ APP P05067 2/20 0.52
▸ CXCL12 P48061 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HSPD1 P10809 1/20 0.50
▸ HSPE1 P61604 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CYP1B1 Q16678 1/20 0.50
▸ GABRA3 P34903 1/20 0.50
▸ GABRA2 P47869 1/20 0.50
▸ GABRB2 P47870 1/20 0.50
▸ KRAS P01116 1/20 0.49
▸ PDE4A P27815 1/20 0.48
▸ PDE4B Q07343 1/20 0.48
▸ PDE4C Q08493 1/20 0.48

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
SCHEMBL8066940 0.94 PTPN1 (0.55) MAOBPTPN1ABCG2APPALDH1A1
SCHEMBL8069096 0.91 PTPN1 (0.55) MAOBPTPN1ABCG2TNFRSF1AAPP
SCHEMBL8063139 0.90 TNFRSF1A (0.53) MAOBPTPN1ABCG2TNFRSF1AAPP
SCHEMBL8052867 0.89 TNFRSF1A (0.58) PTPN1ABCG2TNFRSF1APDE4APDE4B
SCHEMBL8064254 0.89 TNFRSF1A (0.55) MAOBPTPN1ABCG2TNFRSF1APDE4A
SCHEMBL8064252 0.89 TNFRSF1A (0.55) MAOBPTPN1ABCG2TNFRSF1APDE4A
SCHEMBL17237769 0.87 MAOB (0.67) MAOBPTPN1ABCG2TNFRSF1AAPP
SCHEMBL27816898 0.84 KRAS (0.67) MAOBPTPN1ABCG2TNFRSF1ACXCL12
SCHEMBL8066764 0.83 TNFRSF1A (0.54) PTPN1ABCG2TNFRSF1AMAPTPDE4A
SCHEMBL8069081 0.83 TNFRSF1A (0.52) MAOBPTPN1ABCG2TNFRSF1APDE4A

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 3 patents. 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
EP-0915864-A1 GASTROPROTECTIVE FLAVONE/FLAVANONE COMPOUNDS WITH THERAPEUTIC EFFECT ON INFLAMMATORY BOWEL DISEASE Dong A Pharmaceutical Co. Ltd. (KR) 1999-05-19 — — EP disclosed
WO-1998004541-A1 GASTROPROTECTIVE FLAVONE/FLAVANONE COMPOUNDS WITH THERAPEUTIC EFFECT ON INFLAMMATORY BOWEL DISEASE DONG A PHARMACEUTICAL CO., LTD. (KR) 1998-02-05 — — WO disclosed
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