SCHEMBL28906329

SCHEMBL28906329

O=C(O)c1ccc(C=CC(=O)c2cc(Cl)ccc2O)cc1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.76
MAOB P27338 4/20 0.72
MAOA P21397 2/20 0.72
MAPT P10636 2/20 0.68
KMT2A Q03164 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
PKM P14618 1/20 0.68
GUSB P08236 1/20 0.68
MEN1 O00255 1/20 0.67
NPC1 O15118 1/20 0.67
MAPK1 P28482 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
DHODH Q02127 1/20 0.67

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
SCHEMBL5085100 0.90 AR (0.88) ARMAOBMAOAMAPTKMT2A
SCHEMBL5085108 0.90 AR (0.88) ARMAOBMAOAMAPTKMT2A
SCHEMBL10830021 0.87 AR (1.00) ARMAOBMAOAMAPTKMT2A
SCHEMBL11050763 0.87 AR (1.00) ARMAOBMAOAMAPTKMT2A
SCHEMBL25199493 0.84 SRD5A2 (0.59) ARMAOBMAOAGUSBNPC1
SCHEMBL25197758 0.84 SRD5A2 (0.59) ARMAOBMAOAGUSBNPC1
SCHEMBL5087961 0.84 MAOB (1.00) ARMAOBMAOAMAPTKMT2A
SCHEMBL10830261 0.84 AR (0.78) ARMAOBMAOAMAPTKMT2A
SCHEMBL5087952 0.84 MAOB (1.00) ARMAOBMAOAMAPTKMT2A
SCHEMBL28906335 0.83 MAPT (0.72) ARMAOBMAOAMAPTKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304513-A Chalcone derivative with anti-inflammatory activity and synthesis method and application thereof 湖北科技学院 2022-11-08 CN disclosed