SCHEMBL23398588

SCHEMBL23398588

CCCn1cc(CC(C)C)c(O)n1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL23400917 0.90 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL23402473 0.86 L3MBTL1 (0.39) GABRA1GABRB2L3MBTL1
SCHEMBL23400714 0.82 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL23400494 0.82 L3MBTL1 (0.41) GABRA1GABRB2L3MBTL1
SCHEMBL17000257 0.81 L3MBTL1 (0.38) L3MBTL1
SCHEMBL23399728 0.80 L3MBTL1 (0.36) L3MBTL1
SCHEMBL23403079 0.80 GABRA1 (0.42) GABRA1GABRB2
SCHEMBL17000249 0.79 L3MBTL1 (0.30) L3MBTL1
SCHEMBL23403281 0.77 TYR (0.37) L3MBTL1
SCHEMBL23402153 0.76 KDM4E (0.39) L3MBTL1

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