SCHEMBL7097770

SCHEMBL7097770

CNc1cccc(C(=O)C=Cc2ccc(OC)cc2OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.71
ALDH1A1 P00352 5/20 0.71
NPC1 O15118 3/20 0.71
RAB9A P51151 3/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
TNFRSF1A P19438 1/20 0.67
HPGD P15428 3/20 0.61
LMNA P02545 2/20 0.61
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
CYP1A1 P04798 2/20 0.58
CYP1B1 Q16678 1/20 0.58
KDM4E B2RXH2 3/20 0.57
MAPK1 P28482 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
CASP1 P29466 1/20 0.56
BRCA1 P38398 1/20 0.56
RECQL P46063 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
SCHEMBL7097768 0.91 ABCG2 (0.68) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7198467 0.87 MAPT (0.82) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7198465 0.87 MAPT (0.82) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7186162 0.86 TNFRSF1A (0.80) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7099543 0.86 NR1H4 (0.70) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7097175 0.86 TNFRSF1A (0.80) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7100718 0.86 ABCG2 (0.66) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7100777 0.85 ABCG2 (0.67) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7188111 0.83 MAPT (1.00) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7188106 0.83 MAPT (1.00) MAPTALDH1A1NPC1RAB9ASMN1; 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