SCHEMBL23398683

SCHEMBL23398683

CCCCc1c(O)nn(CC(C)C)c1CCCC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.31
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
SCHEMBL23401554 0.95 FFAR1 (0.33) FFAR1
SCHEMBL23402463 0.95 FFAR1 (0.36) FFAR1NPC1HPGDMAPK1HTT
SCHEMBL23400116 0.92 FFAR1 (0.33) FFAR1TLR7
SCHEMBL23401039 0.92 FFAR1 (0.36) FFAR1NPC1HPGDMAPK1HTT
SCHEMBL23398665 0.91 FFAR1 (0.35) FFAR1NPC1HPGDMAPK1HTT
SCHEMBL23402746 0.91 FFAR1 (0.32) FFAR1
SCHEMBL23403705 0.87 FFAR1 (0.33) FFAR1SMN1; SMN2TLR7
SCHEMBL23400123 0.87 FFAR1 (0.38) FFAR1NPC1HPGDMAPK1HTT
SCHEMBL23398849 0.87
SCHEMBL23402750 0.82 GLA (0.31)

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