SCHEMBL31366778

SCHEMBL31366778

COc1ccc(C=CC(=O)C=Cc2ccc(OC)c(O)c2Br)c(Br)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.54
TFEB P19484 1/20 0.54
NFKB1 P19838 4/20 0.54
MAPT P10636 2/20 0.54
JUN P05412 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 1/20 0.54
LY96 Q9Y6Y9 3/20 0.54
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL30928251 1.00 NFE2L2 (0.54) NFE2L2TFEBNFKB1MAPTJUN
SCHEMBL30928263 0.81 NFE2L2 (0.60) NFE2L2TFEBNFKB1MAPTJUN
SCHEMBL24542204 0.80 ERN1 (0.44) NFE2L2MAPTALDH1A1KDM4ENPC1
SCHEMBL149415 0.80 ERN1 (0.59) ALDH1A1ERN1
SCHEMBL1637980 0.80 ERN1 (0.59) ALDH1A1ERN1
SCHEMBL27975994 0.79 NFE2L2 (0.70) NFE2L2TFEBNFKB1MAPTJUN
SCHEMBL4263783 0.76 MAPT (0.52) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL4263779 0.76 MAPT (0.52) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL2743991 0.75 ABCG2 (0.73) NFE2L2TFEBNFKB1MAPTJUN
SCHEMBL3747172 0.75 ERN1 (0.45) MAPTMEN1ALDH1A1KMT2AKDM4E

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-119280203-A Application of conjugated ketene skeleton bromophenol compound in preparation of anti-gout drugs 中国海洋大学 2025-01-10 CN disclosed