SCHEMBL23401976

SCHEMBL23401976

CCCCc1cn(CC(C)C)nc1O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.34
TLR7 Q9NYK1 1/20 0.32
ACHE P22303 2/20 0.32
ADA P00813 1/20 0.32
KDR P35968 1/20 0.32
FFAR1 O14842 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
SCHEMBL23401258 0.90 ACHE (0.33) ACHE
SCHEMBL23400431 0.83 L3MBTL1 (0.42) TYR
SCHEMBL23398868 0.83 ACHE (0.38) ACHE
SCHEMBL23403281 0.81 TYR (0.37) TYRKDR
SCHEMBL23402171 0.81 TYR (0.37) TYRTLR7KDR
SCHEMBL23400714 0.80 GABRA1 (0.38) ACHE
SCHEMBL23401827 0.77 ACHE (0.35) TYRTLR7ACHEADAKDR
SCHEMBL23403314 0.77 TYR (0.36) TYR
SCHEMBL11304852 0.77 KDR (0.41) TYRKDR
SCHEMBL23399118 0.75 TYR (0.40) TYR

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