SCHEMBL6853263

SCHEMBL6853263

CC(C)(C)c1cccc(-c2ccccc2)c1-c1onnc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
ALDH1A1 P00352 2/20 0.32
PTPN5 P54829 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD11B1 P28845 1/20 0.31
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL73821 0.83 L3MBTL1 (0.36) L3MBTL1PTGS1PTGS2ALDH1A1MEN1
SCHEMBL10705944 0.80 GPR55 (0.34) L3MBTL1PTGS1PTGS2ALDH1A1MEN1
SCHEMBL9786231 0.80 GPR55 (0.34) L3MBTL1PTGS1PTGS2ALDH1A1MEN1
SCHEMBL6853260 0.77 L3MBTL1 (0.34) L3MBTL1PTGS1PTGS2ALDH1A1MEN1
SCHEMBL2200423 0.75 GPR55 (0.42) L3MBTL1PTGS1PTGS2ALDH1A1MEN1
SCHEMBL27781320 0.75 CA2 (0.41) ALDH1A1PTPN5LMNAMAPTHPGD
Hydrogen Sulfide SCHEMBL27603612 0.73 CA2 (0.40) PTGS2ALDH1A1PTPN5HPGD
SCHEMBL23596178 0.72 KIF11 (0.34) ALDH1A1PTPN5
SCHEMBL23596225 0.71 ALDH1A1 (0.33) ALDH1A1PTPN5
SCHEMBL27908557 0.71 CA2 (0.41) PTGS2ALDH1A1PTPN5HSD11B1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022030265-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND ORGANIC LIGHT-EMITTING ELEMENT 国立大学法人京都大学 2022-02-10 WO disclosed
WO-2021153168-A1 COMPOUND, LIGHT-EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING ELEMENT 国立大学法人京都大学 2021-08-05 WO disclosed
WO-2021117809-A1 LIGHT-EMITTING MATERIAL, OLED, AND COMPOUND 国立大学法人京都大学 2021-06-17 WO disclosed
US-6777111-B1 HEAT ENDURANCE; LOW CRYSTALLINITY; EMPLOYING CONDENSED RING DERIVATIVE KABUSHIKI KAISHA CHUO KENKYUSHO (JP) 2004-08-17 US disclosed