SCHEMBL7004498

SCHEMBL7004498

Cc1c(OCC(C)C)cc(OCC(C)C)cc1-c1ccc2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.52
GPBAR1 Q8TDU6 2/20 0.40
DHODH Q02127 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
AR P10275 6/20 0.38
STAT3 P40763 1/20 0.36
HTT P42858 1/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 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
SCHEMBL7005281 0.84 TLR8 (0.49) TLR8SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7005330 0.81 TLR8 (0.51) TLR8GPBAR1SMN1; SMN2NPC1RAB9A
SCHEMBL7003762 0.79 TLR8 (0.49) TLR8GPBAR1SMN1; SMN2NPC1RAB9A
SCHEMBL7004330 0.77 ALDH1A1 (0.54) TLR8SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7007753 0.75 SCN9A (0.40) TLR8DHODHNPC1RAB9AKDM4E
SCHEMBL16836333 0.69 TLR8 (1.00) TLR8DHODHSMN1; SMN2NPC1RAB9A
SCHEMBL16310381 0.68 AR (0.59) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL2608869 0.68 TLR8 (0.54) TLR8GPBAR1SMN1; SMN2MEN1POLB
SCHEMBL741255 0.68 KDM4E (0.61) TLR8GPBAR1SMN1; SMN2NPC1RAB9A
SCHEMBL7005082 0.66 AR (0.39) TLR8SMN1; SMN2NPC1RAB9AKDM4E

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