SCHEMBL23399677

SCHEMBL23399677

CCCCc1nn(CC(C)C)c(O)c1C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL23398493 0.90 HTR2A (0.32) SMN1; SMN2
SCHEMBL23402412 0.89 FFAR1 (0.37) FFAR1SMN1; SMN2TLR7
SCHEMBL23400305 0.84 FFAR1 (0.36) FFAR1SMN1; SMN2TLR7
SCHEMBL23403149 0.84 FFAR1 (0.33) FFAR1TLR7
SCHEMBL23400857 0.84 FFAR1 (0.36) FFAR1SMN1; SMN2TLR7
SCHEMBL23400549 0.83 GAA (0.35) SMN1; SMN2
SCHEMBL23402062 0.83 NPC1 (0.32)
SCHEMBL23403371 0.83
SCHEMBL23398737 0.81 ADORA2A (0.33)
SCHEMBL23402030 0.81 NR1H3 (0.34)

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