SCHEMBL7097737

SCHEMBL7097737

COc1cccc(C=CC(=O)c2ccc(N(C)C)cc2)c1OC

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.73
MAOB P27338 4/20 0.70
KRAS P01116 1/20 0.65
ABCG2 Q9UNQ0 1/20 0.63
NFE2L2 Q16236 2/20 0.62
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
CYP1A1 P04798 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
TRPM8 Q7Z2W7 1/20 0.58
LMNA P02545 2/20 0.58
ALDH1A1 P00352 1/20 0.58
NTSR1 P30989 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
RELA Q04206 1/20 0.58
BCHE P06276 1/20 0.57
MAPT P10636 1/20 0.57
PTPN1 P18031 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
SCHEMBL7103789 0.88 MAPT (0.74) MAOBKRASABCG2NFE2L2NPC1
SCHEMBL7101373 0.88 MAOB (0.66) ALOX5MAOBNFE2L2NPC1RAB9A
SCHEMBL6357635 0.85 ALOX5 (0.78) ALOX5MAOBABCG2NFE2L2NPC1
SCHEMBL31676388 0.85 ALOX5 (0.78) ALOX5MAOBKRASABCG2NFE2L2
SCHEMBL6357636 0.85 ALOX5 (0.78) ALOX5MAOBABCG2NFE2L2NPC1
SCHEMBL4026900 0.85 LMNA (0.78) ALOX5MAOBABCG2NFE2L2NPC1
SCHEMBL7102141 0.84 ALOX5 (0.76) ALOX5MAOBKRASABCG2NFE2L2
SCHEMBL11296305 0.82 ALOX5 (0.73) ALOX5MAOBABCG2NFE2L2NPC1
SCHEMBL7097251 0.82 ALOX5 (0.73) ALOX5MAOBABCG2NFE2L2NPC1
SCHEMBL28263081 0.82 RELA (0.73) ALOX5MAOBABCG2NFE2L2NPC1

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