SCHEMBL5550486

SCHEMBL5550486

CCCCC1=C(c2cccc(C(F)(F)F)c2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MAOB P27338 1/20 0.39
HRH1 P35367 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HTR2C P28335 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
ASIC3 Q9UHC3 1/20 0.36
ICMT O60725 1/20 0.36
GALR1 P47211 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36

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
SCHEMBL5551665 0.79 PTGS2 (0.48) TLR8CTSSCTSKMAOB
SCHEMBL5549699 0.77 CHRNB4 (0.43)
SCHEMBL1021059 0.76 TLR8 (0.40) TLR8CTSSCTSKMAOBHTR2C
SCHEMBL5549746 0.74 RARB (0.40) HTR2CMMP2MMP3
SCHEMBL1021436 0.74 TLR8 (0.38) TLR8CTSSCTSKMAOBHTR2C
SCHEMBL1021437 0.74 TLR8 (0.38) TLR8CTSSCTSKMAOBHTR2C
SCHEMBL5550509 0.72 MAPK14 (0.46)
SCHEMBL28769701 0.70 TLR8 (0.35) TLR8CTSSCTSKMAOBHDAC3
SCHEMBL256694 0.70 TAAR1 (0.62) HRH1HTR2CHDAC1
SCHEMBL2532289 0.69 HTR2C (0.50) CTSSMAOBHRH1HRH4HTR2C

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