SCHEMBL24442968

SCHEMBL24442968

Bc1ccccc1Nc1cc2c(cc1-c1ccccc1)C(C)(C)CCC2(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 10/20 0.39
▸ RXRA P19793 7/20 0.39
▸ RARG P13631 6/20 0.39
▸ RXRB P28702 5/20 0.36
▸ RXRG P48443 5/20 0.36
▸ RARA P10276 8/20 0.35
▸ FABP4 P15090 3/20 0.33
▸ FABP3 P05413 1/20 0.31
▸ FABP5 Q01469 1/20 0.31
▸ HNF4A P41235 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ JAK3 P52333 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
SCHEMBL23446728 0.86 RARB (0.39) RARBRXRARARGRXRBRXRG
SCHEMBL24442807 0.82 RARB (0.43) RARBRXRARARGRXRBRXRG
SCHEMBL29945232 0.79 RARB (0.46) RARBRXRARARGRXRBRXRG
SCHEMBL23442800 0.79 RARB (0.46) RARBRXRARARGRXRBRXRG
SCHEMBL31676214 0.78 RXRA (0.36) RARBRXRARARGRXRBRXRG
SCHEMBL23442477 0.76 NPSR1 (0.47) RARBRXRARARGRXRBRXRG
SCHEMBL23118193 0.75 ABCG2 (0.39) RARBRXRARARGRXRBRXRG
SCHEMBL31675874 0.74 MYC (0.38) RARBRXRARARGRXRBRXRG
SCHEMBL24561593 0.73 RARB (0.41) RARBRXRARARGRARAHNF4A
SCHEMBL27395020 0.73 RARB (0.41) RARBRXRARARGRXRBRXRG

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-2022103090-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2022-05-19 — — WO disclosed
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