SCHEMBL23401397

SCHEMBL23401397

CCCCc1c(O)nn(CC)c1-c1cccc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 1/20 0.39
TLR8 Q9NR97 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MAPK1 P28482 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL23403262 0.93 NPC1 (0.43) NPC1L3MBTL1TP53TRPM8ADORA3
SCHEMBL23402527 0.91 TP53 (0.43) NPC1L3MBTL1TP53TRPM8ADORA3
SCHEMBL23399738 0.91 TP53 (0.43) NPC1L3MBTL1TP53TRPM8ADORA3
SCHEMBL23398511 0.88 NPC1 (0.44) NPC1L3MBTL1TP53TRPM8KDM4E
SCHEMBL23401835 0.88 TP53 (0.39) NPC1L3MBTL1TP53TRPM8ADORA3
SCHEMBL23398641 0.87 TP53 (0.43) NPC1L3MBTL1TP53TRPM8ADORA3
SCHEMBL23402916 0.86 HSD11B1 (0.42) L3MBTL1ADORA3ADORA2AKDM4EMAPK1
SCHEMBL23400139 0.85 TP53 (0.45) NPC1TP53TRPM8ADORA3ADORA2A
SCHEMBL23403165 0.84 TP53 (0.44) NPC1L3MBTL1TP53TRPM8ADORA3
SCHEMBL23399315 0.83 ADORA3 (0.39) NPC1TP53ADORA3ADORA2ATLR8

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