SCHEMBL7005329

SCHEMBL7005329

Cc1ccc(OC(C)C)cc1-c1nccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.42
CYP2A6 P11509 1/20 0.41
CBFB Q13951 1/20 0.38
MAOA P21397 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD1 P21728 3/20 0.36
FGFR1 P11362 1/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 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
SCHEMBL7007771 0.85 SCN9A (0.46) SCN9ACYP2A6MAOAL3MBTL1CYP1A2
SCHEMBL7004310 0.85 CYP2A6 (0.39) CYP2A6CBFBMAOANPC1RAB9A
SCHEMBL7004461 0.85 MAOA (0.44) SCN9ACYP2A6MAOAKDM4EKMT2A
SCHEMBL7003795 0.83 SCN9A (0.57) SCN9ACYP2A6NPC1RAB9AKDM4E
SCHEMBL7003794 0.83 SCN9A (0.45) SCN9ACYP2A6NPC1RAB9AKDM4E
SCHEMBL7005201 0.80 SCN9A (0.43) SCN9ACYP2A6MAOANPC1RAB9A
SCHEMBL18753201 0.79 CYP2A6 (0.49) SCN9ACYP2A6MAOANPC1RAB9A
SCHEMBL15668159 0.76 CYP2A6 (0.46) CYP2A6NPC1RAB9AKDM4EMAPT
SCHEMBL12319848 0.75 KDM4E (0.49) SCN9ACYP2A6NPC1RAB9AKDM4E
SCHEMBL3648742 0.75 CYP2A6 (0.55) SCN9ACYP2A6MAOANPC1RAB9A

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