Sugi Predict

Sugi Predict / Compounds / SCHEMBL28528718

SCHEMBL28528718

SCHEMBL28528718

CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3c(-c4ccccc4)ccc4c(N)c5cc(-c6ccccc6)ccc5c(N)c34)c2)cc(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RXRB P28702 8/20 0.36
▸ RXRA P19793 7/20 0.36
▸ RXRG P48443 3/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ DHFR P00374 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ GPR84 Q9NQS5 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
SCHEMBL28536313 0.93 RXRB (0.36) RXRBRXRARXRGMAPTKDM4E
SCHEMBL28540720 0.90 KDM4E (0.36) RXRBRXRARXRGDHFRMAPT
SCHEMBL27979828 0.79 DGAT1 (0.40) MAPTKDM4EALDH1A1KIF11GPR84
SCHEMBL28907574 0.76 CTSD (0.36) DHODHMAPTGAA
SCHEMBL23039197 0.75 ALDH1A1 (0.37) GAAALDH1A1
SCHEMBL28523721 0.71 DHODH (0.38) DHODHMAPTGAA
SCHEMBL4249048 0.71 ADORA2A (0.40) MAPTKDM4EALDH1A1GPR84
SCHEMBL29444809 0.71 ADORA2A (0.40) MAPTKDM4EALDH1A1GPR84
SCHEMBL21333922 0.70 RXRA (0.39) RXRBRXRARXRGMAPTKDM4E
SCHEMBL30128065 0.70 HSD17B10 (0.50) DHFRMAPTKDM4EGAAALDH1A1

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-112441931-A Compound, light-emitting device, light-emitting apparatus, electronic device, and lighting apparatus 株式会社半导体能源研究所 2021-03-05 — — CN disclosed
Send feedback