SCHEMBL9619456

SCHEMBL9619456

COc1ccc(OC)c(C=C2CCCC(=Cc3cc(OC)ccc3OC)C2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 1.00
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
ALDH1A1 P00352 2/20 0.68
GAA P10253 1/20 0.68
NOD2 Q9HC29 2/20 0.68
EGFR P00533 8/20 0.64
CRHBP P24387 1/20 0.62
CRHR2 Q13324 1/20 0.62
CYP1A2 P05177 1/20 0.60
POLB P06746 2/20 0.54
MAPT P10636 1/20 0.54
HSD17B3 P37058 1/20 0.54
NCOA1 Q15788 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
JUN P05412 1/20 0.52
MME P08473 1/20 0.52
NFKB1 P19838 1/20 0.52
XDH P47989 1/20 0.52

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
SCHEMBL19050169 1.00 NFE2L2 (1.00) NFE2L2KMT2AMEN1ALDH1A1GAA
SCHEMBL19050166 0.85 NFE2L2 (0.74) NFE2L2KMT2AMEN1ALDH1A1GAA
SCHEMBL19050162 0.84 NFE2L2 (0.72) NFE2L2KMT2AMEN1ALDH1A1GAA
SCHEMBL9619490 0.83 NFE2L2 (0.71) NFE2L2KMT2AMEN1ALDH1A1GAA
SCHEMBL5691865 0.81 NFE2L2 (0.67) NFE2L2KMT2AMEN1ALDH1A1GAA
SCHEMBL21030102 0.81 KMT2A (1.00) NFE2L2KMT2AMEN1ALDH1A1GAA
SCHEMBL16745390 0.80 NFE2L2 (0.66) NFE2L2KMT2AMEN1ALDH1A1GAA
SCHEMBL28005275 0.80 NFE2L2 (0.65) NFE2L2KMT2AMEN1ALDH1A1GAA
SCHEMBL16745481 0.80 EGFR (0.77) NFE2L2KMT2AMEN1ALDH1A1GAA
SCHEMBL17077339 0.78 EGFR (1.00) NFE2L2EGFRXDH

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
JP-4358133-A None JP disclosed
JP-H04358133-A NONLINEAR OPTICAL MATERIAL HITACHI CHEM CO LTD 1992-12-11 JP disclosed