SCHEMBL1432885

SCHEMBL1432885

O=C(O)C(=O)C1C(=O)C2CCC1C2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL15840887 0.83 ALDH1A1 (0.36) ALDH1A1
SCHEMBL18527521 0.73 CYP1A2 (0.45) ALDH1A1
SCHEMBL7419212 0.73 CYP1A2 (0.45) ALDH1A1
SCHEMBL20878810 0.70 HSD11B1 (0.34) ALDH1A1
SCHEMBL14484945 0.69 ALDH1A1 (0.39) ALDH1A1
SCHEMBL11420015 0.67
SCHEMBL8740473 0.67 HSD11B1 (0.35) ALDH1A1
SCHEMBL14875617 0.65 AKR1C3 (0.32)
SCHEMBL9426958 0.64
SCHEMBL13860670 0.63 ALDH1A1 (0.33) ALDH1A1

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
EP-1902034-B1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS SA (CH) 2011-03-30 EP claimed