SCHEMBL26952619

SCHEMBL26952619

CC1(C)CCC(C)(C)c2c(-c3cc4c(cc3Nc3ccc(-c5ccccc5)cc3)C3(c5ccccc5-c5ccccc53)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
▸ JAK2 O60674 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ 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
SCHEMBL26952248 0.95 RARB (0.32) RARBRARGRARARXRAJAK2
SCHEMBL26951879 0.91 RARB (0.34) RARBRARGRARARXRAJAK2
SCHEMBL26952554 0.87 RARB (0.46) RARBRARGRARARXRAJAK2
SCHEMBL26952491 0.82 RARB (0.47) RARBRARGRARARXRAJAK2
SCHEMBL29687555 0.82 PDK2 (0.37) PTGER4PDK2
SCHEMBL26952137 0.82 RARB (0.43) RARBRARGRARARXRAJAK2
SCHEMBL27395277 0.79 JAK2 (0.34) RARBRARGRXRAJAK2JAK3
SCHEMBL25491148 0.78 RARB (0.40) RARBRARGRARARXRAPTGER4
SCHEMBL31375644 0.78 RARB (0.40) RARBRARGRARARXRAPTGER4
SCHEMBL26950577 0.78 RARB (0.34) RARBRARGRARARXRA

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-2023239092-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2023-12-14 — — WO disclosed
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