SCHEMBL28874576

SCHEMBL28874576

CC(C)(C)c1ccc2oc3cccc(Br)c3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PON1 P27169 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KIF11 P52732 2/20 0.36
▸ AHR P35869 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ PGAM1 P18669 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TTR P02766 1/20 0.32

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
SCHEMBL23621549 0.82 PON1 (0.43) PON1ALDH1A1MAPTKIF11AHR
SCHEMBL23422084 0.79 PON1 (0.41) PON1ALDH1A1MAPTKIF11AHR
SCHEMBL21585387 0.79 ESR1 (0.43) PON1ALDH1A1MAPTTP53MEN1
SCHEMBL23056731 0.78 PON1 (0.54) PON1ALDH1A1MAPTKIF11AHR
SCHEMBL25644203 0.78 PON1 (0.40) PON1ALDH1A1MAPTKIF11HDAC6
SCHEMBL18819919 0.78 MAOB (0.44) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL12060916 0.78 MAPT (0.53) PON1ALDH1A1MAPTKIF11AHR
SCHEMBL19548236 0.78 GABRP (0.45) MAPTAHRTP53SMN1; SMN2NPC1
SCHEMBL19152198 0.76 PON1 (0.46) PON1ALDH1A1MAPTTP53MEN1
SCHEMBL16806203 0.75 PON1 (0.51) PON1ALDH1A1MAPTKIF11AHR

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-115260250-B Organic electroluminescent material and device 北京八亿时空液晶科技股份有限公司 2024-12-10 — — CN disclosed
CN-115260250-A Organic electroluminescent material and device 北京八亿时空液晶科技股份有限公司 2022-11-01 — — CN disclosed
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