SCHEMBL23823944

SCHEMBL23823944

C/C=C/CCC(=O)C/C=C/C(=O)NC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
TRPA1 O75762 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL8458198 0.80 PPARG (0.32) PPARGPPARDPPARA
SCHEMBL8458200 0.80 PPARG (0.32) PPARGPPARDPPARA
SCHEMBL7166023 0.73 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4PPARG
SCHEMBL7998543 0.72 MAPT (0.36) PPARGPPARDPPARA
SCHEMBL12328435 0.71 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28340352 0.69
SCHEMBL19300404 0.69
SCHEMBL11160351 0.68 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11160341 0.68 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8458637 0.68 ALDH1A1 (0.50) PPARGPPARDPPARACNR1

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-2021179049-A1 TREATMENT OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS AND COMPOUNDS FOR SAME THE UNIVERSITY OF ADELAIDE (AU) 2021-09-16 WO disclosed