SCHEMBL23401178

SCHEMBL23401178

CC(C)Cc1cnn(C(C)(C)C)c1O

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37

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
SCHEMBL23400603 0.79 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL23401895 0.76 HMGCR (0.31)
SCHEMBL23400877 0.76 GABRA1 (0.41) GABRA1GABRB2
SCHEMBL23402244 0.75 KDM4E (0.33) GABRA1GABRB2
SCHEMBL23400383 0.74 GABRA1 (0.39) GABRA1GABRB2
SCHEMBL23401482 0.74 TYR (0.36) GABRA1GABRB2
SCHEMBL23400770 0.73 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL23403067 0.73 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL23402224 0.72 CA1 (0.31) GABRA1GABRB2
SCHEMBL23401263 0.69 CYP1A2 (0.35)

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