SCHEMBL28528867

SCHEMBL28528867

Nc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.65
ALDH1A1 P00352 4/20 0.65
HSD17B10 Q99714 3/20 0.65
ESR1 P03372 2/20 0.61
ESR2 Q92731 2/20 0.61
PRKCZ Q05513 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
TDP1 Q9NUW8 3/20 0.56
TAAR1 Q96RJ0 2/20 0.56
ALOX15 P16050 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
HBB P68871 1/20 0.56
HIF1A Q16665 1/20 0.56
PLAU P00749 1/20 0.55
ALOX5 P09917 1/20 0.54
CYP1A2 P05177 1/20 0.53
TP53 P04637 1/20 0.52

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
SCHEMBL28981808 1.00 CYP3A4 (0.65) CYP3A4ALDH1A1HSD17B10ESR1ESR2
SCHEMBL6537114 1.00 CYP3A4 (0.65) CYP3A4ALDH1A1HSD17B10ESR1ESR2
SCHEMBL29441264 1.00 CYP3A4 (0.65) CYP3A4ALDH1A1HSD17B10ESR1ESR2
SCHEMBL15481474 0.93 CYP3A4 (0.67) CYP3A4ALDH1A1HSD17B10ESR1ESR2
SCHEMBL28633665 0.92 CYP3A4 (0.56) CYP3A4ALDH1A1HSD17B10ESR1ESR2
SCHEMBL23951341 0.91 HSD17B10 (0.71) CYP3A4ALDH1A1HSD17B10ESR1ESR2
SCHEMBL13304735 0.91 ALDH1A1 (0.81) CYP3A4ALDH1A1HSD17B10ESR1ESR2
SCHEMBL18903007 0.88 ALDH1A1 (0.77) CYP3A4ALDH1A1HSD17B10ESR1ESR2
SCHEMBL27852511 0.88 PLAU (0.59) CYP3A4ALDH1A1HSD17B10ESR1ESR2
Benzidine SCHEMBL6528002 0.87 HSD17B10 (0.72) CYP3A4ALDH1A1HSD17B10PRKCZCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112538060-B Novel organic compound for coating layer and organic light-emitting element comprising same 东进世美肯株式会社 2024-10-29 CN disclosed
CN-116157399-A Novel compound for capping layer and organic light-emitting element comprising same 东进世美肯株式会社 2023-05-23 CN disclosed
WO-2022055321-A1 NOVEL COMPOUND FOR CAPPING LAYER, AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 동진쎄미켐 2022-03-17 WO disclosed
CN-113773317-A Novel compound for cover layer and organic light-emitting element comprising same 东进世美肯株式会社 2021-12-10 CN disclosed
CN-113773318-A Novel compound for cover layer and organic light-emitting element comprising same 东进世美肯株式会社 2021-12-10 CN disclosed
CN-112538060-A Novel organic compound for capping layer and organic light-emitting element comprising same 东进世美肯株式会社 2021-03-23 CN disclosed
CN-112467048-A Organic light-emitting element including capping layer and capping layer compound suitable for use in the organic light-emitting element 东进世美肯株式会社 2021-03-09 CN disclosed
CN-112436095-A Organic light-emitting element including capping layer and capping layer compound suitable for use in the organic light-emitting element 东进世美肯株式会社 2021-03-02 CN disclosed