SCHEMBL8064357

SCHEMBL8064357

CCCCCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)c(O)cc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.54
▸ TNFRSF1A P19438 6/20 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
▸ DPP4 P27487 1/20 0.49
▸ SMPD1 P17405 4/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ ABCB1 P08183 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ EGFR P00533 1/20 0.48
▸ CSK P41240 1/20 0.48
▸ CNR2 P34972 1/20 0.47

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
SCHEMBL8062149 0.92 PTPN1 (0.61) PTPN1TNFRSF1ANPC1HPGDRAB9A
SCHEMBL8063262 0.89 PTPN1 (0.52) PTPN1NPC1RAB9ADPP4ABCG2
SCHEMBL8066918 0.85 TNFRSF1A (0.51) PTPN1TNFRSF1ANPC1HPGDRAB9A
SCHEMBL8069081 0.82 TNFRSF1A (0.52) PTPN1TNFRSF1ANPC1HPGDRAB9A
SCHEMBL8063011 0.79 TNFRSF1A (0.52) PTPN1TNFRSF1ANPC1HPGDRAB9A
SCHEMBL16246459 0.79 TNFRSF1A (0.76) TNFRSF1ANPC1HPGDRAB9ASMN1; SMN2
SCHEMBL16246460 0.79 TNFRSF1A (0.76) TNFRSF1ANPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8064254 0.78 TNFRSF1A (0.55) PTPN1TNFRSF1ANPC1HPGDRAB9A
SCHEMBL8064252 0.78 TNFRSF1A (0.55) PTPN1TNFRSF1ANPC1HPGDRAB9A
SCHEMBL8052867 0.78 TNFRSF1A (0.58) PTPN1TNFRSF1ANPC1HPGDRAB9A

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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