SCHEMBL29988331

SCHEMBL29988331

Cc1ccc(-c2cc(-c3cccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRB P28702 5/20 0.44
RXRA P19793 4/20 0.44
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
ABCG2 Q9UNQ0 3/20 0.36
LMNA P02545 1/20 0.35
KIF11 P52732 1/20 0.35
RXRG P48443 1/20 0.35
DHODH Q02127 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL23928362 1.00 RXRB (0.44) RXRBRXRAKDM4EGAAMAPT
SCHEMBL23928357 0.97 MAPT (0.41) RXRBRXRAKDM4EGAAMAPT
SCHEMBL29988782 0.97 MAPT (0.41) RXRBRXRAKDM4EGAAMAPT
SCHEMBL23959658 0.97 MAPT (0.41) RXRBRXRAKDM4EGAAMAPT
SCHEMBL23959723 0.95 RXRB (0.40) RXRBRXRAKDM4EGAAMAPT
SCHEMBL32664312 0.95 RXRB (0.40) RXRBRXRAKDM4EGAAMAPT
SCHEMBL23959694 0.92 KDM4E (0.37) RXRBRXRAKDM4EGAAMAPT
SCHEMBL23959677 0.91 MAPT (0.46) RXRBRXRAKDM4EGAAMAPT
SCHEMBL23959698 0.90 KDM4E (0.38) RXRBRXRAKDM4EGAAMAPT
SCHEMBL23959754 0.85 RXRB (0.39) RXRBRXRAKDM4EGAAMAPT

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-115417775-A Material for hole transport layer, material for electron blocking layer, material for electron transport layer, material for hole blocking layer, and light-emitting device 株式会社半导体能源研究所 2022-12-02 CN disclosed