SCHEMBL26439701

SCHEMBL26439701

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-n2c3ccc4c5ccccc5c5ccccc5c4c3c3c4c5ccccc5c5ccccc5c4ccc32)c1Br

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 3/20 0.39
▸ RORA P35398 2/20 0.39
▸ RORC P51449 2/20 0.39
▸ RORB Q92753 2/20 0.39
▸ KIF11 P52732 2/20 0.36
▸ PPARG P37231 3/20 0.33
▸ METAP2 P50579 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ DNMT1 P26358 3/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ PPARA Q07869 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL27199273 0.87 HTR1D (0.38) PGRRORARORCRORBKIF11
SCHEMBL30803777 0.87 HTR1D (0.38) PGRRORARORCRORBKIF11
SCHEMBL29625598 0.87 PGR (0.38) PGRRORARORCRORBKIF11
SCHEMBL29625610 0.85 PGR (0.35) PGRRORARORCRORBKIF11
SCHEMBL29625575 0.82 TDP1 (0.33) PGRRORARORCRORBKIF11
SCHEMBL29625625 0.81 KIF11 (0.38) PGRRORARORCRORBKIF11
SCHEMBL29625573 0.81 KIF11 (0.35) PGRRORARORCRORBKIF11
SCHEMBL29625566 0.81 KIF11 (0.35) PGRRORARORCRORBKIF11
SCHEMBL29625569 0.81 PGR (0.36) PGRRORARORCRORBKIF11
SCHEMBL29625602 0.80 PGR (0.34) PGRRORARORCRORBKIF11

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
WO-2023190159-A1 COMPOUND, LIGHT-EMITTING ELEMENT MATERIAL AND LIGHT-EMITTING ELEMENT OBTAINED USING SAME, PHOTOELECTRIC CONVERSION ELEMENT MATERIAL, COLOR CONVERSION COMPOSITION, COLOR CONVERSION SHEET, LIGHT SOURCE UNIT, DISPLAY DEVICE, AND LIGHTING DEVICE 東レ株式会社 2023-10-05 — — WO disclosed
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