SCHEMBL23439358

SCHEMBL23439358

CC1(C)CCC(C)(C)c2cc(N(c3cc(Cl)cc(-c4ccccc4)c3)c3ccc4c(c3)C(C)(C)c3ccccc3C4(C)C)ccc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 13/20 0.38
▸ RXRB P28702 10/20 0.38
▸ RXRG P48443 9/20 0.38
▸ RARB P10826 6/20 0.38
▸ RARG P13631 5/20 0.38
▸ RARA P10276 5/20 0.38
▸ CYP26B1 Q9NR63 1/20 0.33
▸ CYP26A1 O43174 1/20 0.32
▸ PGR P06401 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
SCHEMBL23439049 0.94 RXRA (0.41) RXRARXRBRXRGRARBRARG
SCHEMBL23438807 0.92 PDK2 (0.32) PGR
SCHEMBL23439503 0.85 RXRA (0.38) RXRARXRBRXRGRARBRARG
SCHEMBL24562051 0.82 RXRA (0.34) RXRARXRBRXRGRARBRARG
SCHEMBL29331142 0.81 RARB (0.49) RXRARXRBRXRGRARBRARG
SCHEMBL26303756 0.81 RARB (0.49) RXRARXRBRXRGRARBRARG
SCHEMBL23439031 0.81 RXRA (0.35) RXRARXRBRXRGRARBRARG
SCHEMBL22936149 0.81 RXRA (0.43) RXRARXRBRXRGRARBRARG
SCHEMBL22938028 0.81 RXRA (0.43) RXRARXRBRXRGRARBRARG
SCHEMBL24561695 0.81 PDK2 (0.35) PGR

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-2021107711-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-06-03 — — WO disclosed
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