SCHEMBL31069287

SCHEMBL31069287

CC(C)(C)c1ccc(Nc2cccc3c2C(C)(C)c2cc4c(cc2-3)C(C)(C)CCC4(C)C)c(-c2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 4/20 0.36
▸ RARG P13631 3/20 0.36
▸ RARB P10826 3/20 0.36
▸ RXRB P28702 2/20 0.32
▸ RARA P10276 2/20 0.32
▸ KCNK18 Q7Z418 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PLA2G1B P04054 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ATG4B Q9Y4P1 1/20 0.31
▸ CYP26A1 O43174 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
SCHEMBL23440021 1.00 RXRA (0.36) RXRARARGRARBRXRBRARA
SCHEMBL31069402 0.86 ALDH1A1 (0.35) RXRARXRBKCNK18NPC1ALDH1A1
SCHEMBL23421633 0.86 ALDH1A1 (0.35) RXRARXRBKCNK18NPC1ALDH1A1
SCHEMBL26404910 0.79 RXRA (0.33) RXRARARGRARBRXRBRXRG
SCHEMBL29640043 0.79 RXRA (0.33) RXRARARGRARBRXRBRXRG
SCHEMBL22934074 0.78 CYP26A1 (0.40) RXRARARGRARBRXRBRARA
SCHEMBL31069430 0.77 RARB (0.30) RXRARARGRARB
SCHEMBL23439067 0.77 RARB (0.30) RXRARARGRARB
SCHEMBL23438785 0.76 ABCG2 (0.30) —
SCHEMBL23439459 0.76 ABCG2 (0.30) —

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
CN-113924307-B Polycyclic compound and organic light-emitting element including the same 株式会社LG化学 2024-08-20 — — CN disclosed
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