SCHEMBL28906359

SCHEMBL28906359

O=Cc1cc(O)ccc1C=CC(=O)c1cc(Cl)ccc1O

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.64
CHRNA7 P36544 4/20 0.61
GUSB P08236 1/20 0.60
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAOB P27338 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PKM P14618 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAOA P21397 1/20 0.54

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
SCHEMBL28906328 0.84 AR (0.63) ARCHRNA7MAPTL3MBTL1MAOB
SCHEMBL28906376 0.81 CHRNA7 (0.73) CHRNA7MAPTNPC1L3MBTL1KDM4E
SCHEMBL7196342 0.78 CHRNA7 (0.79) CHRNA7GUSB
SCHEMBL7196345 0.78 CHRNA7 (0.79) CHRNA7GUSB
SCHEMBL13857110 0.77 AR (1.00) ARCHRNA7GUSBMAPTMAOB
SCHEMBL19236264 0.76 CHRNA7 (1.00) CHRNA7GUSB
SCHEMBL30383155 0.76 TYR (0.82) CHRNA7MAPTMAOBPKMKMT2A
SCHEMBL5085108 0.75 AR (0.88) ARGUSBMAPTNPC1L3MBTL1
SCHEMBL5085100 0.75 AR (0.88) ARGUSBMAPTNPC1L3MBTL1
SCHEMBL7193420 0.75 MAOA (0.72) ARMAPTNPC1L3MBTL1MAOB

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