SCHEMBL23399989

SCHEMBL23399989

CCc1nn(CC(C)C)cc1O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL23402399 0.86 ACHE (0.36) ACHE
SCHEMBL23403125 0.85 KDM4E (0.41) ACHEKDM4EUSP2HPGDHSD17B10
SCHEMBL23401827 0.83 ACHE (0.35) ACHEHPGD
SCHEMBL23401256 0.80 HTT (0.42) KDM4E
SCHEMBL23399452 0.77 L3MBTL1 (0.37) KDM4E
SCHEMBL23399531 0.77 ACHE (0.40) ACHEKDM4EUSP2HPGDHSD17B10
SCHEMBL23399401 0.76 ACHE (0.39) ACHE
SCHEMBL23401572 0.74 TYR (0.37)
SCHEMBL23398868 0.74 ACHE (0.38) ACHE
SCHEMBL23399803 0.73 ADORA2A (0.33) KDM4EUSP2HPGDHSD17B10

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