SCHEMBL26043017

SCHEMBL26043017

C=C1c2cccc(C(C)(C)C)c2C(=O)c2cccc(C(C)(C)C)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
MAPT P10636 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
RAB9A P51151 4/20 0.40
MAPK1 P28482 3/20 0.40
EGFR P00533 2/20 0.40
PABPC1 P11940 1/20 0.40
NSD2 O96028 1/20 0.40
LMNA P02545 1/20 0.40
ADORA2A P29274 1/20 0.39
MAOA P21397 2/20 0.38
NPC1 O15118 3/20 0.37
CASP3 P42574 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
PLA2G1B P04054 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37

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 0.89 MAOA (0.46) ALDH1A1SMN1; SMN2L3MBTL1MAPTTDP1
Anthraquinone SCHEMBL29222026 0.87 ADORA2A (0.52) ALDH1A1SMN1; SMN2L3MBTL1MAPTTDP1
SCHEMBL50547 0.87 ADORA2A (0.52) ALDH1A1SMN1; SMN2L3MBTL1MAPTTDP1
SCHEMBL12445275 0.83 MAPT (0.50) ALDH1A1SMN1; SMN2L3MBTL1MAPTTDP1
SCHEMBL26499113 0.80 GABRA1 (0.46) ALDH1A1SMN1; SMN2L3MBTL1MAPTTDP1
SCHEMBL12445318 0.79 MEN1 (0.50) ALDH1A1SMN1; SMN2L3MBTL1MAPTTDP1
SCHEMBL18789612 0.77 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2L3MBTL1MAPTTDP1
SCHEMBL21880297 0.76 L3MBTL1 (0.67) ALDH1A1SMN1; SMN2L3MBTL1MAPTTDP1
SCHEMBL27053386 0.75 MAPT (0.39) ALDH1A1SMN1; SMN2L3MBTL1MAPTTDP1
SCHEMBL26041279 0.75 L3MBTL1 (0.47) ALDH1A1SMN1; SMN2L3MBTL1MAPTTDP1

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
US-11739173-B2 Crosslinked polymers and related compositions, electrochemical cells, batteries, methods and systems ALIONYX ENERGY SYSTEMS (US) 2023-08-29 US disclosed