SCHEMBL23399755

SCHEMBL23399755

CCCCc1nn(CC)c(O)c1CCC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL23402657 0.94 NPC1 (0.37) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23401518 0.93 NPC1 (0.36) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23400688 0.91 NPC1 (0.32) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23400858 0.90 USP2 (0.34) MAPK1NPSR1KDM4E
SCHEMBL23401474 0.87 NPC1 (0.32) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23398970 0.87 ESR1 (0.33) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23401190 0.85 FFAR1 (0.33)
SCHEMBL23401346 0.85 USP2 (0.31) MAPK1NPSR1KDM4E
SCHEMBL23398936 0.83 USP2 (0.38)
SCHEMBL23403149 0.83 FFAR1 (0.33)

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