SCHEMBL26499113

SCHEMBL26499113

Cc1cccc2c1C(=O)c1cccc(C(C)(C)C)c1C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
CASP3 P42574 1/20 0.43
HBB P68871 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
USP8 P40818 1/20 0.41
ADORA2A P29274 1/20 0.40

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
SCHEMBL26041253 0.90 MAOA (0.46) GABRA1GABRB2ALDH1A1SMN1; SMN2MAPK1
Anthraquinone SCHEMBL29222026 0.85 ADORA2A (0.52) ALDH1A1SMN1; SMN2MAPK1L3MBTL1RAB9A
SCHEMBL50547 0.85 ADORA2A (0.52) ALDH1A1SMN1; SMN2MAPK1L3MBTL1RAB9A
SCHEMBL1688847 0.84 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPK1L3MBTL1RAB9A
SCHEMBL12445275 0.81 MAPT (0.50) ALDH1A1SMN1; SMN2MAPK1L3MBTL1RAB9A
SCHEMBL26043017 0.80 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPK1L3MBTL1RAB9A
SCHEMBL14877302 0.80 GABRA1 (0.60) GABRA1GABRB2ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL1160034 0.79 GABRA1 (0.50) GABRA1GABRB2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL30580334 0.78 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MAPK1L3MBTL1RAB9A
SCHEMBL224650 0.78 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MAPK1L3MBTL1RAB9A

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-2023074950-A1 SOLAR CELL BATTERY-INTEGRATED DEVICE AND LIGHT ABSORPTION STORAGE LAYER FOR SOLAR CELL BATTERY-INTEGRATED DEVICE 한국전자기술연구원 2023-05-04 WO disclosed