SCHEMBL29945233

SCHEMBL29945233

CC(C)(C)c1ccc(Nc2cc3c(o2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 4/20 0.36
▸ CYP26B1 Q9NR63 3/20 0.36
▸ OPRD1 P41143 1/20 0.35
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1G2 P78368 1/20 0.34
▸ RXRA P19793 2/20 0.33
▸ RXRB P28702 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ RARA P10276 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ BLVRB P30043 1/20 0.33
▸ P2RY1 P47900 1/20 0.32
▸ ICMT O60725 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
SCHEMBL23442778 0.82 CSNK1D (0.36) CYP26A1CYP26B1OPRD1CSNK1DCSNK1G2
SCHEMBL23116372 0.77 CYP26A1 (0.47) CYP26A1CYP26B1OPRD1RXRARXRB
SCHEMBL29366406 0.77 CYP26A1 (0.47) CYP26A1CYP26B1OPRD1RXRARXRB
SCHEMBL23439027 0.73 CYP26A1 (0.46) CYP26A1CYP26B1OPRD1RXRARXRB
SCHEMBL26410429 0.72 AKR1C3 (0.39) CYP26A1CYP26B1OPRD1RXRARXRB
SCHEMBL23446347 0.71 KDM4E (0.34) MEN1KMT2AMAPTP2RY1ICMT
SCHEMBL23442562 0.70 AKR1C3 (0.35) CYP26A1CYP26B1OPRD1CSNK1DCSNK1G2
SCHEMBL26599492 0.70 HIF1A (0.36) CYP26A1CYP26B1OPRD1RXRARXRB
SCHEMBL24019474 0.70 OPRD1 (0.35) OPRD1CSNK1DCSNK1G2MEN1KMT2A
SCHEMBL23442779 0.69 RXRA (0.35) CYP26A1CYP26B1OPRD1RXRARXRB

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-113366002-B Compound and organic light emitting device including the same 株式会社LG化学 2022-09-27 — — CN disclosed
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