SCHEMBL23398665

SCHEMBL23398665

CCCCc1c(O)nn(CC(C)C)c1CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
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
SCHEMBL23399645 0.91
SCHEMBL23398683 0.91 FFAR1 (0.36) FFAR1NPC1HPGDMAPK1HTT
SCHEMBL23402463 0.89 FFAR1 (0.36) FFAR1NPC1HPGDMAPK1HTT
SCHEMBL23401039 0.89 FFAR1 (0.36) FFAR1NPC1HPGDMAPK1HTT
SCHEMBL23400832 0.89 FFAR1 (0.36) FFAR1NPC1HPGDMAPK1HTT
SCHEMBL23399472 0.88 FFAR1 (0.35) FFAR1NPC1HPGDMAPK1HTT
SCHEMBL23402746 0.88 FFAR1 (0.32) FFAR1
SCHEMBL23401642 0.88 FFAR1 (0.35) FFAR1NPC1HPGDMAPK1HTT
SCHEMBL23401554 0.86 FFAR1 (0.33) FFAR1
SCHEMBL23398424 0.84

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