SCHEMBL27310071

SCHEMBL27310071

CC1(C)CCC(C)(C)c2cc(Nc3cccc(-c4cccc5ccccc45)c3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 6/20 0.41
▸ RARG P13631 5/20 0.41
▸ RXRA P19793 2/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ CHRNA1 P02708 1/20 0.38
▸ CHRNG P07510 1/20 0.38
▸ CHRNB1 P11230 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ CHRND Q07001 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HNF4A P41235 1/20 0.37
▸ RARA P10276 5/20 0.37

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
SCHEMBL25491026 0.91 JAK2 (0.45) RARBRARGRXRAJAK2JAK3
SCHEMBL31375647 0.91 JAK2 (0.45) RARBRARGRXRAJAK2JAK3
SCHEMBL26306822 0.83 RARB (0.52) RARBRARGRXRAJAK2JAK3
SCHEMBL27310134 0.82 RARB (0.47) RARBRARGRXRAJAK2JAK3
SCHEMBL27395186 0.81 RARA (0.54) RARBRARGRXRAJAK2JAK3
SCHEMBL25125199 0.81 MAPT (0.39) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL23137765 0.81 PDK2 (0.41) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL31058374 0.81 PDK2 (0.41) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL31016204 0.81 ALDH1A1 (0.47) ALDH1A1MAPTMEN1CYP3A4KMT2A
SCHEMBL17740776 0.81 ALDH1A1 (0.47) ALDH1A1MAPTMEN1CYP3A4KMT2A

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-2024039222-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME 주식회사 엘지화학 2024-02-22 — — WO disclosed
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