SCHEMBL30569509

SCHEMBL30569509

CC(C)(C)c1ccc(Nc2cc3oc4cc5c(cc4c3cc2B2OC(C)(C)C(C)(C)O2)C(C)(C)CCC5(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.32
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30
▸ CYP26A1 O43174 1/20 0.30
▸ CYP26B1 Q9NR63 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
SCHEMBL30569505 0.87 CYP26A1 (0.33) CYP26A1CYP26B1
SCHEMBL26599492 0.87 HIF1A (0.36) HIF1AAKR1C3AKR1C2CYP26A1CYP26B1
SCHEMBL30569510 0.83 HIF1A (0.32) HIF1A
SCHEMBL29141974 0.80 HIF1A (0.33) HIF1AAKR1C3AKR1C2CYP26A1CYP26B1
SCHEMBL30569511 0.80 HIF1A (0.33) HIF1AAKR1C3AKR1C2CYP26A1CYP26B1
SCHEMBL30569503 0.80 HPGD (0.38) HIF1A
SCHEMBL26599474 0.80 MEN1 (0.35) CYP26A1
SCHEMBL30569502 0.78 CYP26A1 (0.36) HIF1ACYP26A1CYP26B1
SCHEMBL26599255 0.78 CYP26A1 (0.36) HIF1ACYP26A1CYP26B1
SCHEMBL24126531 0.75 AKR1C3 (0.39) HIF1AAKR1C3AKR1C2

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-2023172110-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-09-14 — — WO disclosed
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