SCHEMBL31076227

SCHEMBL31076227

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

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.57
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL31076212 0.99 CNR2 (0.56) CNR2
SCHEMBL31076142 0.88 ALDH1A1 (0.51) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL31412814 0.79 MEN1 (0.39) CNR2MEN1ALDH1A1MAPTHPGD
SCHEMBL31076262 0.72 PPARG (0.76) CNR2MEN1ALDH1A1MAPTHPGD
SCHEMBL11088600 0.72 PPARG (0.76) CNR2MEN1ALDH1A1MAPTHPGD
SCHEMBL11088593 0.72 PPARG (0.76) CNR2MEN1ALDH1A1MAPTHPGD
SCHEMBL11088602 0.72 PPARG (0.76) CNR2MEN1ALDH1A1MAPTHPGD
SCHEMBL11097898 0.71 ALDH1A1 (0.73) CNR2MEN1ALDH1A1MAPTHPGD
SCHEMBL11082534 0.71 ALDH1A1 (0.73) CNR2MEN1ALDH1A1MAPTHPGD
SCHEMBL8451966 0.71 ALDH1A1 (0.73) CNR2MEN1ALDH1A1MAPTHPGD

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