SCHEMBL30569502

SCHEMBL30569502

CC(C)(C)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Nc2ccc3c(c2)C(C)(C)CCC3(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 6/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ RARA P10276 2/20 0.36
▸ RARB P10826 2/20 0.36
▸ RARG P13631 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PGR P06401 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ TBXA2R P21731 1/20 0.36
▸ BLVRB P30043 1/20 0.36
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ CYP26B1 Q9NR63 4/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 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
SCHEMBL26599255 0.91 CYP26A1 (0.36) CYP26A1MEN1CYP3A4RARARARB
SCHEMBL26599492 0.85 HIF1A (0.36) CYP26A1MEN1CYP3A4RARARARB
SCHEMBL25396703 0.84 RARB (0.39) CYP26A1MEN1CYP3A4RARARARB
SCHEMBL30363271 0.84 RARB (0.39) CYP26A1MEN1CYP3A4RARARARB
SCHEMBL26599940 0.84 HIF1A (0.38) MEN1KMT2AHIF1A
SCHEMBL30271869 0.84 RARA (0.38) CYP26A1MEN1CYP3A4RARARARB
SCHEMBL25249871 0.84 RARA (0.38) CYP26A1MEN1CYP3A4RARARARB
SCHEMBL29141974 0.78 HIF1A (0.33) CYP26A1CYP26B1HIF1A
SCHEMBL30569511 0.78 HIF1A (0.33) CYP26A1CYP26B1HIF1A
SCHEMBL23439324 0.78 CYP26A1 (0.42) CYP26A1MEN1CYP3A4RARARARB

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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