SCHEMBL23399192

SCHEMBL23399192

CCCCc1c(O)c(C)nn1CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
FFAR1 O14842 1/20 0.36
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL23403443 0.90 SMN1; SMN2 (0.38) SMN1; SMN2APAF1NPC1RAB9AADORA2A
SCHEMBL23403697 0.84 FFAR1 (0.33) FFAR1TLR7
SCHEMBL23403701 0.83 NR1H3 (0.35) NPC1RAB9AADORA2AADORA2B
SCHEMBL23398732 0.83 ADORA2A (0.35) FFAR1NPC1RAB9AADORA2AADORA2B
SCHEMBL23402455 0.83 ADORA2A (0.41) FFAR1NPC1RAB9AADORA2AADORA2B
SCHEMBL23400043 0.83 SMN1; SMN2 (0.40) SMN1; SMN2APAF1NPC1RAB9A
SCHEMBL23399651 0.83 FFAR1 (0.33) FFAR1
SCHEMBL27146084 0.83 FFAR1 (0.33) FFAR1
SCHEMBL23402083 0.83 FFAR1 (0.33) FFAR1
SCHEMBL23402492 0.81 SMN1; SMN2 (0.41) SMN1; SMN2APAF1NPC1RAB9A

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