SCHEMBL30271869

SCHEMBL30271869

CC1(C)CCC(C)(C)c2cc(Nc3cc(O)ccc3B3OC(C)(C)C(C)(C)O3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 6/20 0.38
▸ RARB P10826 6/20 0.38
▸ RARG P13631 6/20 0.38
▸ CYP26A1 O43174 5/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PGR P06401 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ BLVRB P30043 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CYP26B1 Q9NR63 3/20 0.34
▸ RXRA P19793 2/20 0.31
▸ RXRB P28702 1/20 0.31

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
SCHEMBL25249871 1.00 RARA (0.38) RARARARBRARGCYP26A1MEN1
SCHEMBL30363271 0.86 RARB (0.39) RARARARBRARGCYP26A1MEN1
SCHEMBL25396703 0.86 RARB (0.39) RARARARBRARGCYP26A1MEN1
SCHEMBL30569502 0.84 CYP26A1 (0.36) RARARARBRARGCYP26A1MEN1
SCHEMBL26599592 0.83 RXRA (0.33) RARARARBRARGCYP26A1MEN1
SCHEMBL30569505 0.78 CYP26A1 (0.33) RARARARBRARGCYP26A1MEN1
SCHEMBL24564122 0.77 RARB (0.42) RARARARBRARGCYP26A1MEN1
SCHEMBL26599255 0.77 CYP26A1 (0.36) RARARARBRARGCYP26A1MEN1
SCHEMBL26599897 0.77 LIPG (0.47) CYP3A4TSHR
SCHEMBL30363511 0.76 RARB (0.41) RARARARBRARGCYP26A1MEN1

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 2 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-115968592-A Organic light emitting device comprising organic compound 株式会社LG化学 2023-04-14 — — CN disclosed
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