SCHEMBL5551665

SCHEMBL5551665

CCCCCC1=C(c2ccc(C(F)(F)F)cc2)CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.48
PTGS1 P23219 1/20 0.44
TLR8 Q9NR97 1/20 0.39
ADORA3 P0DMS8 3/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAOB P27338 1/20 0.34
KIF11 P52732 3/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
GABRA2 P47869 1/20 0.33

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
SCHEMBL5550486 0.79 TLR8 (0.41) TLR8MAOBCTSSCTSK
SCHEMBL5550509 0.78 MAPK14 (0.46) PTGS2PTGS1ADORA3ADORA2AADORA2B
SCHEMBL1022353 0.74 TLR8 (0.37) PTGS2TLR8MAOBKIF11MEN1
SCHEMBL9281653 0.74 PTGS2 (0.46) PTGS2PTGS1TLR8SLC6A4
SCHEMBL10382748 0.73 MAOB (0.58) PTGS2PTGS1ADORA3SLC6A2SLC6A4
SCHEMBL17108417 0.73 MAOB (0.58) PTGS2PTGS1ADORA3SLC6A2SLC6A4
SCHEMBL1019953 0.71 TLR8 (0.35) TLR8ADORA3MAOBKIF11MEN1
SCHEMBL1019954 0.71 TLR8 (0.35) TLR8ADORA3MAOBKIF11MEN1
SCHEMBL8990601 0.71 MAOB (0.56) PTGS2PTGS1ADORA3SLC6A2SLC6A4
SCHEMBL10381425 0.71 MAOB (0.56) PTGS2PTGS1ADORA3SLC6A2SLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841729-A1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA Amorepacific Corporation (KR) 2007-10-10 EP disclosed
WO-2006059867-A1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA AMOREPACIFIC CORPORATION (KR) 2006-06-08 WO disclosed