SCHEMBL22936352

SCHEMBL22936352

CC1(C)CCC(C)(C)c2cc(N(c3cc(O)cc(Cl)c3)c3cccc4c3oc3ccccc34)ccc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.33
▸ RXRA P19793 2/20 0.31
▸ RXRB P28702 2/20 0.31
▸ RXRG P48443 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL22934104 0.93 AHR (0.32) RXRARXRBRXRGMEN1CYP2C19
SCHEMBL22937935 0.90 PGR (0.31) RXRARXRBRXRG
SCHEMBL23439071 0.86 AHR (0.33) RXRARXRBRXRGMEN1KMT2A
SCHEMBL22936267 0.86 MEN1 (0.32) MEN1KMT2A
SCHEMBL22933929 0.85 RXRA (0.33) RXRARXRBRXRG
SCHEMBL24771788 0.83 MEN1 (0.31) RXRARXRBRXRGMEN1CYP2C19
SCHEMBL22949220 0.83 — —
SCHEMBL23440006 0.81 MEN1 (0.31) RXRARXRBRXRGMEN1CYP2C19
SCHEMBL29331120 0.81 RARA (0.37) ALOX5RXRARXRBRXRGMEN1
SCHEMBL26308240 0.81 RARA (0.37) ALOX5RXRARXRBRXRGMEN1

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 2 patents. 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
WO-2021020931-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-02-04 — — WO disclosed
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