SCHEMBL31076137

SCHEMBL31076137

O=C(OC=CCC=CCC=CCC=CCCCCCO[N+](=O)[O-])C1CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
FABP3 P05413 4/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32

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
SCHEMBL31076142 0.76 ALDH1A1 (0.51) PTGS1FABP3
SCHEMBL2873060 0.75 ALDH1A1 (0.55) PTGS1FABP3
SCHEMBL2875889 0.75 ALDH1A1 (0.53) PTGS1FABP3
SCHEMBL17645154 0.75 MEN1 (0.61)
SCHEMBL17645156 0.75 MEN1 (0.61)
SCHEMBL29431561 0.73 FABP3 (0.50) FABP3
SCHEMBL17645192 0.69 CNR2 (0.54)
SCHEMBL17645193 0.69 CNR2 (0.54)
SCHEMBL31281255 0.69 CA12 (0.38) CA12CA1CA2CA4CA9
SCHEMBL17645305 0.69 CNR1 (0.61) CA12CA1CA2CA4CA9

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