SCHEMBL23401642

SCHEMBL23401642

CCCCc1c(O)nn(CCC)c1CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
GRIA4 P48058 1/20 0.34
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 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
SCHEMBL23399472 0.94 FFAR1 (0.35) FFAR1NPC1HPGDMAPK1HTT
SCHEMBL23402675 0.91 GRIA4 (0.35) GRIA4
SCHEMBL23400832 0.89 FFAR1 (0.36) FFAR1GRIA4NPC1HPGDMAPK1
SCHEMBL23399005 0.88 GRIA4 (0.34) FFAR1GRIA4
SCHEMBL23400983 0.88
SCHEMBL23398665 0.88 FFAR1 (0.35) FFAR1NPC1HPGDMAPK1HTT
SCHEMBL23399260 0.87 GRIA4 (0.37) GRIA4
SCHEMBL23402540 0.86 GRIA4 (0.36) GRIA4
SCHEMBL23402480 0.84 FFAR1 (0.36) FFAR1NPC1HPGDMAPK1HTT
SCHEMBL23401786 0.84 ESR1 (0.31) GRIA4

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