SCHEMBL30504733

SCHEMBL30504733

COc1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3ccccc3Cl)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 2/20 0.71
MAOB P27338 10/20 0.71
MAOA P21397 4/20 0.71
MAPT P10636 5/20 0.70
KMT2A Q03164 3/20 0.70
MEN1 O00255 2/20 0.70
ALDH1A1 P00352 2/20 0.70
CYP1B1 Q16678 2/20 0.70
HSPD1 P10809 1/20 0.70
TNFRSF1A P19438 1/20 0.70
HSPE1 P61604 1/20 0.70
BCHE P06276 1/20 0.70
CYP3A4 P08684 1/20 0.70
NFKB1 P19838 1/20 0.70
NFKB2 Q00653 1/20 0.70
RELA Q04206 1/20 0.70
CYP2D6 P10635 2/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
CASP3 P42574 1/20 0.65

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
SCHEMBL14692575 0.95 MAOB (0.72) F3MAOBMAOAMAPTKMT2A
SCHEMBL9420986 0.95 MAOB (0.72) F3MAOBMAOAMAPTKMT2A
SCHEMBL30504738 0.86 ABCG2 (0.76) MAOBMAOAMAPTKMT2AMEN1
SCHEMBL30504726 0.86 MAOB (0.73) MAOBMAOAMAPTKMT2ACYP1B1
4,4'-Dimethoxychalcone SCHEMBL978242 0.84 F3 (1.00) F3MAOBMAOAMAPTKMT2A
4,4'-Dimethoxychalcone SCHEMBL978243 0.84 F3 (1.00) F3MAOBMAOAMAPTKMT2A
SCHEMBL30504730 0.84 ABCG2 (0.78) MAPTKMT2AMEN1TNFRSF1ARAB9A
SCHEMBL30504735 0.84 ABCG2 (0.73) MAOBMAPTKMT2AMEN1CYP1B1
SCHEMBL8987387 0.83 MAOB (1.00) F3MAOBMAOAMAPTKMT2A
SCHEMBL657701 0.83 MAOB (1.00) F3MAOBMAOAMAPTKMT2A

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
CN-116444359-B Asymmetric double chalcone compound, synthesis method and application thereof 温州医科大学附属眼视光医院 2025-03-18 CN disclosed
CN-116444359-A Novel asymmetric double chalcone compound, synthesis method and application thereof 温州医科大学附属眼视光医院 2023-07-18 CN disclosed