SCHEMBL23399491

SCHEMBL23399491

CCCCc1c(-c2ccc(C)cc2)c(O)nn1CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.41
DPP4 P27487 2/20 0.37
ADORA3 P0DMS8 3/20 0.33
TLR8 Q9NR97 1/20 0.33
APLNR P35414 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 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
SCHEMBL23398693 0.92 GCGR (0.37) GCGRDPP4SMN1; SMN2
SCHEMBL23403391 0.88 GCGR (0.39) GCGRDPP4
SCHEMBL23402980 0.87 DPP4 (0.39) GCGRDPP4ADORA3TLR8NPC1
SCHEMBL23401942 0.87 GRIA2 (0.37) GCGRDPP4NPC1RAB9ASMN1; SMN2
SCHEMBL23403156 0.85 DPP4 (0.39) GCGRDPP4ADORA3TLR8NPC1
SCHEMBL23400126 0.85 DPP4 (0.39) GCGRDPP4ADORA3TLR8NPC1
SCHEMBL23402592 0.84 DPP4 (0.36) GCGRDPP4NPC1RAB9A
SCHEMBL23398724 0.82 MEN1 (0.38) GCGRADORA3NPC1TP53RAB9A
SCHEMBL23403256 0.82 GCGR (0.42) GCGRDPP4ADORA3APLNRNPC1
SCHEMBL23400170 0.80 GCGR (0.38) GCGRDPP4ADORA3TLR8NPC1

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