SCHEMBL19890243

SCHEMBL19890243

CCCCCCc1cc2ccccc2nc1/C=C/CCCCCC=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.52
FAAH O00519 4/20 0.42
TRPV1 Q8NER1 2/20 0.42
MMP2 P08253 2/20 0.39
F7 P08709 2/20 0.39
F3 P13726 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
ECE1 P42892 1/20 0.39
SGMS1 Q86VZ5 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
MUS81 Q96NY9 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
DAGLA Q9Y4D2 1/20 0.38
CES1 P23141 1/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL19890256 0.94 TLR8 (0.58) TLR8FAAHMMP2F7F3
SCHEMBL23505037 0.84 PPARG (0.55) TLR8FAAHDAGLACES1PPARG
SCHEMBL27947021 0.78 TLR8 (0.61) TLR8TRPV1MAPT
SCHEMBL1767928 0.78 TLR8 (0.82) TLR8
SCHEMBL1767937 0.78 TLR8 (0.82) TLR8
SCHEMBL28198533 0.77 TLR8 (0.47) TLR8FAAHKDM4EDAGLACES1
SCHEMBL28198532 0.77 TLR8 (0.47) TLR8FAAHKDM4EDAGLACES1
SCHEMBL28386512 0.77 TLR8 (0.56) TLR8FAAHKDM4EDAGLACES1
SCHEMBL9287141 0.74 FAAH (0.45) TLR8FAAHKDM4EMAPTDAGLA
SCHEMBL19890145 0.74 FAAH (0.54) FAAHDAGLACES1OXER1

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-2018033642-A1 HETEROCYCLIC LIPXON ANALOGS AND USES THEROF UNIVERSITY COLLEGE DUBLIN (IE) 2018-02-22 WO disclosed