SCHEMBL28985273

SCHEMBL28985273

CC(C)(C)c1cc(-c2ccccc2)c(C(C)(C)C)c(Br)c1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
BACE1 P56817 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HDAC7 Q8WUI4 1/20 0.32
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PLK1 P53350 1/20 0.31
ESR2 Q92731 1/20 0.31
GAA P10253 1/20 0.30
PLAU P00749 1/20 0.30
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 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
SCHEMBL4461656 0.83 BACE1 (0.37) ALDH1A1MEN1KMT2ABACE1ADORA3
SCHEMBL6677589 0.80 ALDH1A1 (0.38) ALDH1A1MAPK1MEN1KMT2ABACE1
SCHEMBL1071427 0.80 BACE1 (0.34) ALDH1A1MEN1KMT2ABACE1ADORA3
SCHEMBL5240821 0.80 BACE1 (0.34) ALDH1A1MEN1KMT2ABACE1ADORA3
SCHEMBL27883686 0.79 ALDH1A1 (0.36) ALDH1A1MAPK1MEN1KMT2ATSHR
SCHEMBL29022931 0.75 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ABACE1TSHR
SCHEMBL28622378 0.75 HSD17B10 (0.36) ALDH1A1MEN1KMT2ABACE1ADORA3
SCHEMBL28491181 0.75 BACE1 (0.42) ALDH1A1MEN1KMT2ABACE1TSHR
SCHEMBL29240297 0.75 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ABACE1ADORA3
SCHEMBL27008526 0.75 METAP2 (0.38) ALDH1A1MEN1KMT2ABACE1ADORA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115804260-A Light-emitting device, light-emitting apparatus, electronic apparatus, and lighting apparatus 株式会社半导体能源研究所 2023-03-14 CN disclosed
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