SCHEMBL8063139

SCHEMBL8063139

COc1c(OCc2ccccc2)cc(O)c(C=CC(=O)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNFRSF1A P19438 3/20 0.53
▸ PTPN1 P18031 1/20 0.52
▸ PDE4A P27815 1/20 0.51
▸ PDE4B Q07343 1/20 0.51
▸ PDE4C Q08493 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ SMPD1 P17405 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ MAOB P27338 1/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ EGFR P00533 1/20 0.46

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
SCHEMBL8064252 0.97 TNFRSF1A (0.55) TNFRSF1APTPN1PDE4APDE4BPDE4C
SCHEMBL8064254 0.97 TNFRSF1A (0.55) TNFRSF1APTPN1PDE4APDE4BPDE4C
SCHEMBL8052867 0.95 TNFRSF1A (0.58) TNFRSF1APTPN1PDE4APDE4BPDE4C
SCHEMBL8066940 0.91 PTPN1 (0.55) PTPN1PDE4APDE4BPDE4CPDE4D
SCHEMBL8052896 0.90 MAOB (0.61) TNFRSF1APTPN1PDE4APDE4BPDE4C
SCHEMBL8066764 0.89 TNFRSF1A (0.54) TNFRSF1APTPN1PDE4APDE4BPDE4C
SCHEMBL8063011 0.88 TNFRSF1A (0.52) TNFRSF1APTPN1PDE4APDE4BPDE4C
SCHEMBL8069081 0.87 TNFRSF1A (0.52) TNFRSF1APTPN1PDE4APDE4BPDE4C
SCHEMBL8066918 0.86 TNFRSF1A (0.51) TNFRSF1APTPN1PDE4APDE4BPDE4C
SCHEMBL679431 0.85 TNFRSF1A (0.59) TNFRSF1APTPN1PDE4APDE4BPDE4C

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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