SCHEMBL23403245

SCHEMBL23403245

Cc1nn(C(C)C)c(O)c1C(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 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
SCHEMBL14226092 0.79 PDE1A (0.33) ALDH1A1MAPTHTT
SCHEMBL14788266 0.77
SCHEMBL23399872 0.77
SCHEMBL23402618 0.77 ADORA2A (0.31)
SCHEMBL23401340 0.76 ALDH1A1 (0.41) ALDH1A1MAPTHTT
SCHEMBL23402756 0.72 POLB (0.31)
SCHEMBL23399029 0.72
SCHEMBL23401083 0.72 SMN1; SMN2 (0.32)
SCHEMBL23398938 0.72 ADORA2A (0.37)
SCHEMBL23400757 0.71 KDM4E (0.31) ALDH1A1MAPTHTT

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed