SCHEMBL27395182

SCHEMBL27395182

CC1(C)CCC(C)(C)c2cc(-c3cccc(Nc4cccc5c4C(C)(C)CCC5(C)C)c3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 13/20 0.48
▸ RARB P10826 12/20 0.48
▸ RARG P13631 11/20 0.48
▸ RXRA P19793 3/20 0.39
▸ JAK2 O60674 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ HNF4A P41235 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ CYP26A1 O43174 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL27395221 0.89 RARB (0.43) RARARARBRARGRXRAJAK2
SCHEMBL23445601 0.87 RARB (0.43) RARARARBRARGRXRAJAK2
SCHEMBL27395186 0.84 RARA (0.54) RARARARBRARGRXRAJAK2
SCHEMBL27395131 0.84 RARB (0.51) RARARARBRARGRXRAJAK2
SCHEMBL27395077 0.83 FADS1 (0.48) RARARARBRARGRXRAJAK2
SCHEMBL26306083 0.83 RARA (0.56) RARARARBRARGRXRAHNF4A
SCHEMBL27395220 0.82 RARB (0.47) RARARARBRARGRXRAJAK2
SCHEMBL27395223 0.81 RARB (0.50) RARARARBRARGRXRAJAK2
SCHEMBL27395129 0.81 RARB (0.57) RARARARBRARGRXRAJAK2
SCHEMBL31375644 0.80 RARB (0.40) RARARARBRARGRXRASIRT2

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-2024096578-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE HAVING SAME 덕산네오룩스 주식회사 2024-05-10 — — WO disclosed
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