SCHEMBL22948156

SCHEMBL22948156

Cc1cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc(N(c2ccc3c(c2)C(C)(C)CCC3(C)C)c2ccc3c(c2)C(C)(C)CCC3(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 17/20 0.40
▸ RXRB P28702 15/20 0.40
▸ RXRG P48443 14/20 0.40
▸ TSHR P16473 1/20 0.33
▸ CYP26B1 Q9NR63 2/20 0.32
▸ RARB P10826 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ CYP26A1 O43174 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
SCHEMBL23446678 0.91 RXRA (0.38) RXRARXRBRXRG
SCHEMBL23446085 0.90 RXRA (0.36) RXRARXRBRXRG
SCHEMBL24771782 0.89 RXRA (0.36) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL23117538 0.88 RXRA (0.41) RXRARXRBRXRGCYP26B1RARB
SCHEMBL25896021 0.88 RXRA (0.41) RXRARXRBRXRGCYP26B1RARB
SCHEMBL23447822 0.87 RXRA (0.47) RXRARXRBRXRGCYP26B1RARB
SCHEMBL24772659 0.87 RXRA (0.36) RXRARXRBRXRGRARBRARG
SCHEMBL25952750 0.86 RXRA (0.32) RXRARXRBRXRGCYP26A1
SCHEMBL22950542 0.85 RXRA (0.36) RXRARXRBRXRGCYP26B1RARB
SCHEMBL23444397 0.85 KDM4E (0.33) RXRARXRBRXRG

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-2021020928-A2 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-02-04 — — WO disclosed
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