SCHEMBL23399990

SCHEMBL23399990

CCCCc1nn(CCC)c(O)c1CC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
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
HRH3 Q9Y5N1 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
SCHEMBL23401523 0.93 USP2 (0.33) USP2NPC1HPGDMAPK1HTT
SCHEMBL23402191 0.93 HPGD (0.36) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23401474 0.91 NPC1 (0.32) USP2NPC1HPGDMAPK1HTT
SCHEMBL23400647 0.89 USP2 (0.40) USP2
SCHEMBL23403241 0.88 HPGD (0.35) USP2NPC1HPGDMAPK1HTT
SCHEMBL23400688 0.88 NPC1 (0.32) USP2NPC1HPGDMAPK1HTT
SCHEMBL23398987 0.86 USP2 (0.39) USP2
SCHEMBL23402468 0.86 HPGD (0.36) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23400727 0.85 ADORA2A (0.32) USP2
SCHEMBL23398970 0.84 ESR1 (0.33) USP2NPC1HPGDMAPK1HTT

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