SCHEMBL2484934

SCHEMBL2484934

O=C(O)C(C(=O)c1ncccc1O)c1ccccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.42
ACP3 P15309 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
FTO Q9C0B1 1/20 0.38
CNR2 P34972 2/20 0.38
NFE2L2 Q16236 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
HSD11B1 P28845 1/20 0.37
CTNNB1 P35222 2/20 0.36
WNT3A P56704 2/20 0.36
MEN1 O00255 1/20 0.36
TNF P01375 1/20 0.36
CXCL8 P10145 1/20 0.36
KMT2A Q03164 1/20 0.36
PAX8 Q06710 1/20 0.36
KLF5 Q13887 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.35
KMO O15229 1/20 0.35
PPARG P37231 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
SCHEMBL783874 0.85 TLR7 (0.42) TLR7EGLN2FTOCNR2NFE2L2
SCHEMBL28821897 0.77 ACP3 (0.53) ACP3CNR2PPARG
SCHEMBL2009099 0.74 NFE2L2 (0.42) CNR2NFE2L2ADAMTS5TRPV1TRPM8
SCHEMBL7682991 0.71 ACP3 (0.47) ACP3CNR2PPARG
SCHEMBL12631172 0.69 RBP4 (0.50) TLR7EGLN2FTOCNR2NFE2L2
SCHEMBL286833 0.69 KDM4E (0.55) TLR7CNR2NFE2L2TRPV1HSD11B1
SCHEMBL6685785 0.69 ACP3 (0.45) ACP3CNR2PPARG
SCHEMBL194437 0.68 AKR1C3 (0.52) ACP3CNR2CXCL8PPARG
SCHEMBL30428161 0.68 AKR1C3 (0.52) ACP3CNR2CXCL8PPARG
SCHEMBL7441726 0.68 ACP3 (0.50) ACP3CNR2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379503-A1 HETEROCYCLIC DIKETONE DERIVATIVES WITH HERBICIDAL ACTION BASF SE (DE) 2011-10-26 EP disclosed
WO-2010139658-A1 SUBSTITUTED PYRIDOPYRAZINES WITH A HERBICIDAL ACTION BASF SE (DE) 2010-12-09 WO disclosed
WO-2010069802-A1 HETEROCYCLIC DIKETONE DERIVATIVES WITH HERBICIDAL ACTION BASF SE (DE) 2010-06-24 WO disclosed