SCHEMBL7005330

SCHEMBL7005330

CCCOc1cc(OCCC)c(C)c(-c2ccc3ccccc3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.51
GPBAR1 Q8TDU6 3/20 0.49
CYSLTR1 Q9Y271 2/20 0.49
CYSLTR2 Q9NS75 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE10A Q9Y233 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7005281 0.87 TLR8 (0.49) TLR8NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7004498 0.81 TLR8 (0.52) TLR8GPBAR1CYSLTR1NPC1RAB9A
SCHEMBL22033267 0.80 TLR8 (0.56) TLR8GPBAR1CYSLTR1NPC1RAB9A
SCHEMBL7004330 0.78 ALDH1A1 (0.54) TLR8NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7003762 0.74 TLR8 (0.49) TLR8GPBAR1CYSLTR1NPC1RAB9A
SCHEMBL7004327 0.74 S1PR1 (0.39) TLR8NPC1RAB9AMEN1MAPT
SCHEMBL7004490 0.74 GPBAR1 (0.64) TLR8GPBAR1CYSLTR1CYSLTR2NPC1
SCHEMBL741255 0.71 KDM4E (0.61) TLR8GPBAR1CYSLTR1CYSLTR2NPC1
SCHEMBL16575398 0.71 MAPT (0.41) TLR8MEN1POLBMAPTKMT2A
SCHEMBL30060467 0.70 MEN1 (0.61) TLR8GPBAR1CYSLTR1CYSLTR2MEN1

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
WO-2012064499-A1 PHOSPHORESCENT MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2012-05-18 WO disclosed