SCHEMBL31076313

SCHEMBL31076313

CCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 1.00
KCNK3 O14649 1/20 0.85
ALDH1A1 P00352 1/20 0.85
THRB P10828 1/20 0.85
BLM P54132 1/20 0.85
TDP1 Q9NUW8 1/20 0.85

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
Methanandamide SCHEMBL338871 0.92 CNR2 (1.00) CNR2KCNK3ALDH1A1THRBBLM
Methanandamide SCHEMBL4236530 0.92 CNR2 (1.00) CNR2KCNK3ALDH1A1THRBBLM
SCHEMBL13151436 0.92 CNR2 (1.00) CNR2KCNK3ALDH1A1THRBBLM
Methanandamide SCHEMBL27775277 0.92 CNR2 (1.00) CNR2KCNK3ALDH1A1THRBBLM
SCHEMBL14384955 0.84 CNR2 (0.74) CNR2KCNK3ALDH1A1THRBBLM
SCHEMBL7623460 0.84 CNR2 (0.83) CNR2KCNK3ALDH1A1THRBBLM
SCHEMBL4327695 0.84 CNR2 (0.83) CNR2KCNK3ALDH1A1THRBBLM
SCHEMBL4320015 0.84 CNR2 (0.83) CNR2KCNK3ALDH1A1THRBBLM
SCHEMBL7620584 0.84 CNR2 (0.83) CNR2KCNK3ALDH1A1THRBBLM
SCHEMBL7617717 0.84 CNR2 (0.83) CNR2KCNK3ALDH1A1THRBBLM

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