SCHEMBL1022353

SCHEMBL1022353

CCCCCC1=C(c2ccc(C(F)(F)F)cc2)C(=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.37
KIF11 P52732 2/20 0.35
PLK1 P53350 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGS2 P35354 1/20 0.34
CYP1A2 P05177 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOB P27338 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
SCHEMBL1020565 0.84 PTGS1 (0.44) ALDH1A1PTGS2HTT
SCHEMBL1023950 0.81 PTPN1 (0.42) PTGS2HTT
SCHEMBL1021059 0.80 TLR8 (0.40) TLR8ALDH1A1CTSSCTSKMAOB
SCHEMBL1019954 0.80 TLR8 (0.35) TLR8KIF11PLK1CTSSCTSK
SCHEMBL1019953 0.80 TLR8 (0.35) TLR8KIF11PLK1CTSSCTSK
SCHEMBL1022110 0.80 PTGS1 (0.46) ALDH1A1PTGS2HTT
SCHEMBL1020934 0.78 LIPE (0.41) KIF11PTGS2
SCHEMBL1022344 0.78 RARB (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1021324 0.78 PTGS2 (0.48) PTGS2
SCHEMBL1021894 0.75 PTGS1 (0.43) PTGS2

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
EP-1841729-B1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA AMOREPACIFIC CORP (KR) 2011-01-12 EP claimed