SCHEMBL26599712

SCHEMBL26599712

CC1(C)CCC(C)(C)c2cc(Nc3cc4sc5ccccc5c4cc3B3OC(C)(C)C(C)(C)O3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 1/20 0.36
▸ MEN1 O00255 1/20 0.31
▸ CYP26A1 O43174 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ RARA P10276 1/20 0.31
▸ RARB P10826 1/20 0.31
▸ RARG P13631 1/20 0.31
▸ TBXA2R P21731 1/20 0.31
▸ BLVRB P30043 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HNF4A P41235 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
SCHEMBL25396703 0.81 RARB (0.39) MEN1CYP26A1PGRCYP3A4ADORA3
SCHEMBL30363271 0.81 RARB (0.39) MEN1CYP26A1PGRCYP3A4ADORA3
SCHEMBL24562707 0.81 PTGIR (0.37) PTGIRMEN1CYP26A1PGRCYP3A4
SCHEMBL26599474 0.81 MEN1 (0.35) MEN1CYP26A1PGRCYP3A4ADORA3
SCHEMBL30569504 0.81 PTGIR (0.33) PTGIR
SCHEMBL30569505 0.78 CYP26A1 (0.33) MEN1CYP26A1PGRCYP3A4ADORA3
SCHEMBL30569510 0.76 HIF1A (0.32) —
SCHEMBL30363511 0.76 RARB (0.41) MEN1CYP26A1PGRCYP3A4ADORA3
SCHEMBL26599683 0.76 RARB (0.41) MEN1CYP26A1PGRCYP3A4ADORA3
SCHEMBL26599624 0.76 JAK2 (0.33) MEN1CYP26A1PGRCYP3A4ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4265624-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME Lg Chem, Ltd. (KR) 2023-10-25 — — EP disclosed
CN-115989725-A Compound and organic light emitting device including the same 株式会社LG化学 2023-04-18 — — CN disclosed
WO-2022139513-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2022-06-30 — — WO disclosed
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