SCHEMBL23401786

SCHEMBL23401786

CCCCn1nc(O)c(CC(C)C)c1CC(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.31
GRIA4 P48058 1/20 0.30

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
SCHEMBL23400988 0.92 ESR1 (0.30) ESR1
SCHEMBL23402334 0.92 ESR1 (0.30) ESR1
SCHEMBL23400586 0.91
SCHEMBL23399472 0.91 FFAR1 (0.35)
SCHEMBL23402337 0.91 FFAR1 (0.32)
SCHEMBL23400983 0.91
SCHEMBL23399260 0.90 GRIA4 (0.37) GRIA4
SCHEMBL23399542 0.85 FFAR1 (0.34) ESR1
SCHEMBL23399005 0.84 GRIA4 (0.34) GRIA4
SCHEMBL23402520 0.84 NR1H3 (0.32) ESR1GRIA4

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