SCHEMBL19303802

SCHEMBL19303802

COc1cc(O)c2c(c1-c1c(OC)cc(I)c3c1C(=O)C=C(O)C3=O)C(=O)C=C(O)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ TOP2A P11388 1/20 0.34
▸ TOP2B Q02880 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ P4HB P07237 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ MAPT P10636 4/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ HTT P42858 2/20 0.32
▸ USP2 O75604 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RECQL P46063 1/20 0.32

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
SCHEMBL19303800 0.94 ESR1 (0.37) ESR1ESR2P4HBALDH1A1MAPT
SCHEMBL19303777 0.91 EGFR (0.38) EGFRPIM1P4HBALDH1A1MAPT
SCHEMBL5821593 0.80 PTGS2 (0.39) EGFRPIM1ALDH1A1MAPTMEN1
SCHEMBL19303801 0.80 KDM4E (0.36) PIM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL19303803 0.80 KDM4E (0.38) PIM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5820540 0.77 PTGS2 (0.39) PIM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL23159194 0.74 — —
SCHEMBL19303804 0.72 MAPT (0.41) PIM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10494234 0.71 MAPT (0.41) ALDH1A1MAPTKDM4EHTTNPC1
SCHEMBL9176608 0.70 MAPT (0.52) ALDH1A1MAPTMEN1KMT2AKDM4E

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
EP-3421449-B1 PRODUCTION METHOD FOR 1,1'-BINAPHTHYL DERIVATIVES UNIV KYOTO (JP) 2021-03-31 — — EP disclosed
WO-2017145716-A1 PRODUCTION METHOD FOR 1,1'-BINAPHTHYL DERIVATIVE, AND 1,1'-BINAPHTHYL DERIVATIVE 国立大学法人京都大学 2017-08-31 — — WO disclosed
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