SCHEMBL8779215

SCHEMBL8779215

CC(O)[C@H](NC(=O)c1ncccc1O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.51
EGLN2 Q96KS0 1/20 0.51
CA2 P00918 4/20 0.47
CA1 P00915 3/20 0.47
TLR7 Q9NYK1 5/20 0.46
EGLN1 Q9GZT9 2/20 0.42
MME P08473 1/20 0.39
PIM1 P11309 1/20 0.39
GRM4 Q14833 1/20 0.38
ELANE P08246 1/20 0.38
PRTN3 P24158 1/20 0.38
SIRT2 Q8IXJ6 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
SCHEMBL8779226 1.00 FTO (0.51) FTOEGLN2CA2CA1TLR7
SCHEMBL8882571 1.00 FTO (0.51) FTOEGLN2CA2CA1TLR7
SCHEMBL16834588 0.90 FTO (0.52) FTOEGLN2CA2CA1TLR7
SCHEMBL16834752 0.90 FTO (0.52) FTOEGLN2CA2CA1TLR7
SCHEMBL1921280 0.84 FTO (0.55) FTOEGLN2CA2CA1TLR7
SCHEMBL16834813 0.84 FTO (0.55) FTOEGLN2CA2CA1TLR7
SCHEMBL14284378 0.78 ALDH1A1 (0.61) FTOEGLN2
SCHEMBL16834675 0.78 FTO (0.54) FTOEGLN2CA2CA1MME
SCHEMBL16834681 0.78 FTO (0.54) FTOEGLN2CA2CA1MME
SCHEMBL27883403 0.77 KDM4E (0.54) CA2CA1TLR7

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-0661269-B1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AG (DE) 1997-03-26 EP claimed