SCHEMBL7096590

SCHEMBL7096590

CNc1cccc(C(=O)C=Cc2cccc(OC)c2OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
MAPT P10636 3/20 0.66
MAOB P27338 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
RELA Q04206 3/20 0.65
LMNA P02545 3/20 0.65
ALDH1A1 P00352 2/20 0.65
NTSR1 P30989 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
ALOX5 P09917 1/20 0.62
NFE2L2 Q16236 2/20 0.60
NR1H4 Q96RI1 1/20 0.57
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL7097596 0.92 ABCG2 (0.66) NPC1RAB9AMAPTMAOBSMN1; SMN2
SCHEMBL7099543 0.90 NR1H4 (0.70) NPC1RAB9AMAPTMAOBSMN1; SMN2
SCHEMBL7097251 0.88 ALOX5 (0.73) NPC1RAB9AMAPTMAOBSMN1; SMN2
SCHEMBL7100718 0.85 ABCG2 (0.66) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL7100564 0.85 ABCG2 (0.67) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL4026900 0.83 LMNA (0.78) NPC1RAB9AMAPTMAOBRELA
SCHEMBL7100872 0.82 MAOB (0.69) NPC1RAB9AMAPTMAOBSMN1; SMN2
SCHEMBL28263081 0.82 RELA (0.73) NPC1RAB9AMAOBRELALMNA
SCHEMBL7097770 0.82 MAPT (0.71) NPC1RAB9AMAPTSMN1; SMN2RELA
SCHEMBL7097768 0.82 ABCG2 (0.68) NPC1RAB9AMAPTMAOBSMN1; SMN2

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
WO-2003097577-A1 CHEMICAL COMPOUND CONSISTING OF A NITROGENOUS CHALCONE DERIVATIVE, METHOD OF PRODUCING ONE SUCH CHEMICAL COMPOUND AND FILTERING AND/OR COSMETIC COMPOSITION CONTAINING SAME SYNTH'E163 (SOCIETE ANONYME) (FR) 2003-11-27 WO claimed
WO-2003097577-A1 CHEMICAL COMPOUND CONSISTING OF A NITROGENOUS CHALCONE DERIVATIVE, METHOD OF PRODUCING ONE SUCH CHEMICAL COMPOUND AND FILTERING AND/OR COSMETIC COMPOSITION CONTAINING SAME SYNTH'E163 (SOCIETE ANONYME) (FR) 2003-11-27 WO disclosed