SCHEMBL7007753

SCHEMBL7007753

Cc1c(OCC(C)C)cc(OCC(C)C)cc1-c1nccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
TLR8 Q9NR97 1/20 0.40
MAOA P21397 2/20 0.38
PDE5A O76074 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CYP2A6 P11509 1/20 0.37
S1PR1 P21453 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ELANE P08246 1/20 0.36
AKT1 P31749 1/20 0.35

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
SCHEMBL7003760 0.84 S1PR1 (0.48) SCN9ATLR8CYP2A6S1PR1KDM4E
SCHEMBL7004461 0.83 MAOA (0.44) SCN9ATLR8MAOACYP2A6S1PR1
SCHEMBL7004327 0.82 S1PR1 (0.39) TLR8PDE5APDE4APDE4BPDE4C
SCHEMBL7004310 0.81 CYP2A6 (0.39) TLR8MAOACYP2A6S1PR1KDM4E
SCHEMBL7004339 0.79 MAOA (0.46) SCN9AMAOACYP2A6KDM4ENPC1
SCHEMBL7004498 0.75 TLR8 (0.52) TLR8KDM4ENPC1MAPTRAB9A
SCHEMBL7005329 0.70 SCN9A (0.42) SCN9AMAOACYP2A6KDM4ENPC1
SCHEMBL9292300 0.69 PDK2 (0.42) TLR8PDE5APDE4APDE4BPDE4C
SCHEMBL28461051 0.69 SLC2A1 (0.50) TLR8CYP2A6KDM4EMAPTKMT2A
SCHEMBL7003794 0.69 SCN9A (0.45) SCN9ACYP2A6S1PR1KDM4ENPC1

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