SCHEMBL23399152

SCHEMBL23399152

CCCCc1c(C)c(O)nn1C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.33
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
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAOB P27338 1/20 0.32
MAPT P10636 1/20 0.32
HSD11B1 P28845 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
SCHEMBL23398464 0.88 TKT (0.31) NPC1HTTRAB9ANPSR1MAPT
SCHEMBL23402969 0.85 HPGD (0.37) SIRT1NPC1HPGDMAPK1HTT
SCHEMBL23399508 0.81 ADORA2A (0.33) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23402084 0.81 NR1H3 (0.34) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23398385 0.81 GAA (0.38) MEN1KMT2A
SCHEMBL23402303 0.79 HPGD (0.36) SIRT1NPC1HPGDMAPK1HTT
SCHEMBL23403447 0.79 HPGD (0.36) SIRT1NPC1HPGDMAPK1HTT
SCHEMBL23401713 0.79 MAOB (0.34) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23403595 0.79 HTT (0.36) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23399243 0.79 NPC1 (0.32) NPC1HPGDMAPK1HTTRAB9A

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