SCHEMBL23442779

SCHEMBL23442779

CC(C)(C)c1ccc(NC2=Cc3cc4c(cc3C2)C(C)(C)CCC4(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.35
▸ RXRB P28702 1/20 0.35
▸ CYP26A1 O43174 6/20 0.35
▸ CYP26B1 Q9NR63 4/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ RARA P10276 2/20 0.34
▸ RARB P10826 2/20 0.34
▸ RARG P13631 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PGR P06401 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ BLVRB P30043 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ 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
SCHEMBL23116372 0.78 CYP26A1 (0.47) RXRARXRBCYP26A1CYP26B1MEN1
SCHEMBL29366406 0.78 CYP26A1 (0.47) RXRARXRBCYP26A1CYP26B1MEN1
SCHEMBL23443220 0.72 CYP26A1 (0.35) RXRARXRBCYP26A1CYP26B1MEN1
SCHEMBL23439027 0.71 CYP26A1 (0.46) RXRARXRBCYP26A1CYP26B1MEN1
SCHEMBL6938203 0.70 RXRA (0.33) RXRARXRBRARARARBRARG
SCHEMBL26410429 0.70 AKR1C3 (0.39) RXRARXRBCYP26A1CYP26B1MEN1
SCHEMBL29945233 0.69 CYP26A1 (0.36) RXRARXRBCYP26A1CYP26B1MEN1
SCHEMBL29961438 0.68 CYP26A1 (0.43) RXRARXRBCYP26A1CYP26B1MEN1
SCHEMBL28871624 0.67 AKR1C3 (0.36) RXRARXRBCYP26A1CYP26B1MEN1
SCHEMBL23439324 0.67 CYP26A1 (0.42) RXRARXRBCYP26A1CYP26B1MEN1

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-2021107694-A1 ORGANIC LIGHT-EMITTING ELEMENT 주식회사 엘지화학 2021-06-03 — — WO disclosed
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