SCHEMBL29366406

SCHEMBL29366406

CC(C)(C)c1ccc(Nc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 8/20 0.47
▸ RARB P10826 4/20 0.47
▸ RARG P13631 4/20 0.47
▸ RARA P10276 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PGR P06401 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ TBXA2R P21731 1/20 0.47
▸ BLVRB P30043 1/20 0.47
▸ RXRA P19793 3/20 0.44
▸ RXRB P28702 2/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ CYP26B1 Q9NR63 6/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL23116372 1.00 CYP26A1 (0.47) CYP26A1RARBRARGRARAMEN1
SCHEMBL29961438 0.89 CYP26A1 (0.43) CYP26A1RARBRARGRARAMEN1
SCHEMBL22180634 0.86 RARB (0.53) CYP26A1RARBRARGRARAMEN1
SCHEMBL23439324 0.84 CYP26A1 (0.42) CYP26A1RARBRARGRARAMEN1
SCHEMBL23445678 0.83 RARA (0.40) CYP26A1RARBRARGRARAMEN1
SCHEMBL23446086 0.83 KIF11 (0.37) CYP26A1RARBRARGRARAMEN1
SCHEMBL23444328 0.82 RARA (0.39) CYP26A1RARBRARGRARAMEN1
SCHEMBL12644596 0.81 OPRD1 (0.41) MEN1KMT2AOPRD1TSHRMAPK1
SCHEMBL26306924 0.81 CYP26A1 (0.47) CYP26A1RARBRARGRARAMEN1
SCHEMBL26006715 0.81 RARB (0.50) CYP26A1RARBRARGRARAMEN1

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
CN-113994497-A Organic light emitting device 株式会社LG化学 2022-01-28 — — CN disclosed
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