SCHEMBL8844709

SCHEMBL8844709

COc1cc(-c2oc(-c3cc(OC)c(O)c(OC)c3)c(C)c2C)cc(OC)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMPD3 Q9NY59 4/20 0.45
▸ PTPN1 P18031 1/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA3 P07451 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL14081241 0.92 TUBB4A (0.43) LMNAMAPTGAAKMT2A
SCHEMBL5485044 0.81 ALOX5 (0.55) CA12CA2CA4CA7LMNA
SCHEMBL29493070 0.81 ALOX5 (0.55) CA12CA2CA4CA7LMNA
SCHEMBL5030552 0.78 CA12 (0.56) SMPD3CA12CA1CA2CA3
SCHEMBL514651 0.76 PDE4A (0.60) PKMLMNAMAPTTP53KMT2A
SCHEMBL9238940 0.76 TUBB4A (0.52) MAPTPOLBKMT2A
SCHEMBL14515226 0.75 CSNK2A2 (0.53) CA12CA2CA4CA7LMNA
SCHEMBL10429139 0.75 SMPD3 (0.49) SMPD3GAAKDM4E
SCHEMBL4649105 0.74 ABCB1 (0.70) CA12CA2PKMCA4CA7
SCHEMBL8843796 0.73 MEN1 (0.50) CA12CA2CA4CA7LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5629340-A DIPHENYL FURAN COMPOUNDS TSUMURA & CO. (JP) 1997-05-13 — — US disclosed
EP-0678296-A1 VASCULARIZATION INHIBITOR AND NOVEL COMPOUND TSUMURA & CO. (JP) 1995-10-25 — — EP disclosed
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