SCHEMBL26952137

SCHEMBL26952137

CC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3Nc3ccc(-c5ccccc5)cc3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 15/20 0.43
▸ RARG P13631 14/20 0.43
▸ RXRA P19793 3/20 0.43
▸ RARA P10276 14/20 0.39
▸ JAK2 O60674 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ MEN1 O00255 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP26A1 O43174 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ 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
SCHEMBL26952029 0.96 RARB (0.45) RARBRARGRXRARARAJAK2
SCHEMBL26952554 0.95 RARB (0.46) RARBRARGRXRARARAJAK2
SCHEMBL26952491 0.90 RARB (0.47) RARBRARGRXRARARAJAK2
SCHEMBL26951736 0.88 RARB (0.46) RARBRARGRXRARARAJAK2
SCHEMBL26952248 0.88 RARB (0.32) RARBRARGRXRARARAJAK2
SCHEMBL24958147 0.85 MEN1 (0.41) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL29662140 0.85 MEN1 (0.41) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL26951637 0.84 RARB (0.47) RARBRARGRXRARARAJAK2
SCHEMBL26951708 0.82 RARB (0.46) RARBRARGRXRARARAJAK2
SCHEMBL26952619 0.82 RARB (0.34) RARBRARGRXRARARAJAK2

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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