SCHEMBL26951879

SCHEMBL26951879

CC1(C)CCC(C)(C)c2c(-c3cc4c(cc3Nc3ccc(-c5ccccc5)cc3)C(C)(C)c3ccccc3-4)cccc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 2/20 0.34
▸ RARG P13631 2/20 0.34
▸ RARA P10276 1/20 0.34
▸ RXRA P19793 1/20 0.33
▸ PTGER4 P35408 1/20 0.32
▸ JAK2 O60674 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ PDK2 Q15119 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
SCHEMBL26952619 0.91 RARB (0.34) RARBRARGRARARXRAPTGER4
SCHEMBL26952248 0.88 RARB (0.32) RARBRARGRARARXRAPTGER4
SCHEMBL26951736 0.87 RARB (0.46) RARBRARGRARARXRAJAK2
SCHEMBL25524265 0.84 PTGER4 (0.37) PTGER4PDK2
SCHEMBL29662239 0.84 PTGER4 (0.37) PTGER4PDK2
SCHEMBL26951708 0.82 RARB (0.46) RARBRARGRARARXRAJAK2
SCHEMBL26951637 0.82 RARB (0.47) RARBRARGRARARXRAJAK2
SCHEMBL15137673 0.81 PDK2 (0.41) PTGER4PDK2
SCHEMBL25570548 0.80 PTGER4 (0.37) PTGER4PDK2
SCHEMBL30612824 0.79 MAPT (0.37) PDK2

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-2023239091-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2023-12-14 — — WO disclosed
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