SCHEMBL31076212

SCHEMBL31076212

CCCCCCC=CC(C)C=CCC=CCC=COC(=O)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.56
DUSP3 P51452 1/20 0.40
PTPN7 P35236 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
SCHEMBL31076227 0.99 CNR2 (0.57) CNR2
SCHEMBL31076142 0.87 ALDH1A1 (0.51) DUSP3PTPN7
SCHEMBL31412814 0.78 MEN1 (0.39) CNR2
SCHEMBL8451966 0.73 ALDH1A1 (0.73) CNR2DUSP3PTPN7
SCHEMBL11082528 0.73 ALDH1A1 (0.73) CNR2DUSP3PTPN7
SCHEMBL11082531 0.73 ALDH1A1 (0.73) CNR2DUSP3PTPN7
SCHEMBL11082534 0.73 ALDH1A1 (0.73) CNR2DUSP3PTPN7
SCHEMBL11097898 0.73 ALDH1A1 (0.73) CNR2DUSP3PTPN7
SCHEMBL8451963 0.73 ALDH1A1 (0.73) CNR2DUSP3PTPN7
SCHEMBL11827047 0.73 ALDH1A1 (0.50) DUSP3PTPN7

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-2024172932-A1 ENDOCANNABINOID LIGANDS AND RELATED ANALOGS NORTHEASTERN UNIVERSITY (US) 2024-08-22 WO disclosed