SCHEMBL23399728

SCHEMBL23399728

CCCc1cn(CCC)nc1O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
HMGCR P04035 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL23400968 0.89 KDR (0.36) L3MBTL1
SCHEMBL23403281 0.89 TYR (0.37) L3MBTL1MAPTNPSR1
SCHEMBL23400494 0.86 L3MBTL1 (0.41) L3MBTL1ALDH1A1MAPTNPSR1
SCHEMBL23400208 0.86 L3MBTL1 (0.45) L3MBTL1HMGCRALDH1A1MAPT
SCHEMBL23398685 0.82 PTPN1 (0.35) HMGCR
SCHEMBL23402171 0.81 TYR (0.37) L3MBTL1MAPTNPSR1
SCHEMBL23401258 0.80 ACHE (0.33) L3MBTL1
SCHEMBL11304852 0.80 KDR (0.41) MAPT
SCHEMBL23398588 0.80 GABRA1 (0.36) L3MBTL1
SCHEMBL12844546 0.78 L3MBTL1 (0.49) L3MBTL1ALDH1A1MAPTNPSR1

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