SCHEMBL9063379

SCHEMBL9063379

CO/C(C)=C(/C(=O)O)c1ccccc1Oc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
FFAR1 O14842 2/20 0.50
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
POLB P06746 1/20 0.42
PYGL P06737 1/20 0.42
PYGM P11217 1/20 0.42

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
SCHEMBL203585 1.00 KDM4E (0.51) KDM4EFFAR1KMT2AMEN1ALDH1A1
SCHEMBL203584 0.90 KDM4E (0.54) KDM4EFFAR1KMT2AMEN1ALDH1A1
SCHEMBL8899456 0.90 KDM4E (0.42) KDM4EFFAR1KMT2AMEN1ALDH1A1
SCHEMBL202626 0.83 KDM4E (0.57) KDM4EKMT2AMEN1SMN1; SMN2GAA
SCHEMBL203718 0.82 CTNNB1 (0.54) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL2848086 0.81 KDM4E (0.54) KDM4EFFAR1KMT2AMEN1ALDH1A1
SCHEMBL2848088 0.81 KDM4E (0.51) KDM4EFFAR1KMT2AMEN1ALDH1A1
SCHEMBL2848082 0.81 KDM4E (0.51) KDM4EFFAR1KMT2AMEN1ALDH1A1
SCHEMBL204355 0.80 L3MBTL1 (0.44) KDM4EKMT2AMEN1LMNASMN1; SMN2
SCHEMBL203989 0.80 KDM4E (0.44) KDM4EKMT2AMEN1ALDH1A1MAPT

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-0726710-A1 STABILISATION OF IODINE COMPOUNDS USING INORGANIC SUPPORTING MATERIALS FOR USE IN MATERIAL PROTECTION BAYER AG (DE) 1996-08-21 EP disclosed
WO-1995012315-A1 STABILISATION OF IODINE COMPOUNDS USING INORGANIC SUPPORTING MATERIALS FOR USE IN MATERIAL PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 1995-05-11 WO disclosed