SCHEMBL23403161

SCHEMBL23403161

CCCCc1c(CC)nn(CC)c1O.CCCCc1c(CC)nn(CCC)c1O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
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
ADORA2A P29274 1/20 0.30
ADORA2B P29275 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
SCHEMBL23399140 0.88 HPGD (0.35) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23402191 0.86 HPGD (0.36) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23403241 0.85 HPGD (0.35) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23402657 0.84 NPC1 (0.37) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23401348 0.84 USP2 (0.33) MAPK1NPSR1ADORA2AADORA2B
SCHEMBL23399990 0.83 USP2 (0.33) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23401518 0.83 NPC1 (0.36) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23401346 0.83 USP2 (0.31) MAPK1NPSR1
SCHEMBL23400727 0.83 ADORA2A (0.32) ADORA2AADORA2B
SCHEMBL23400694 0.81 MPO (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