SCHEMBL22934104

SCHEMBL22934104

CC1(C)CCC(C)(C)c2cc(N(c3cc(Cl)cc(N(c4ccc5c(c4)C(C)(C)CCC5(C)C)c4cccc5c4oc4ccccc45)c3)c3cccc4c3oc3ccccc34)ccc21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.32
▸ RXRA P19793 2/20 0.32
▸ RXRB P28702 2/20 0.32
▸ RXRG P48443 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PGR P06401 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
SCHEMBL22937935 0.94 PGR (0.31) AHRRXRARXRBRXRGPGR
SCHEMBL22936352 0.93 ALOX5 (0.33) RXRARXRBRXRGMEN1CYP2C19
SCHEMBL22936267 0.92 MEN1 (0.32) AHRMEN1KMT2A
SCHEMBL22933929 0.92 RXRA (0.33) RXRARXRBRXRGPGR
SCHEMBL24771788 0.90 MEN1 (0.31) RXRARXRBRXRGMEN1CYP2C19
SCHEMBL22949220 0.89 — —
SCHEMBL23440006 0.88 MEN1 (0.31) RXRARXRBRXRGMEN1CYP2C19
SCHEMBL29331120 0.85 RARA (0.37) RXRARXRBRXRGMEN1CYP2C19
SCHEMBL26308240 0.85 RARA (0.37) RXRARXRBRXRGMEN1CYP2C19
SCHEMBL23568146 0.83 AHR (0.36) AHRMEN1CYP2C19KMT2APGR

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