SCHEMBL16834752

SCHEMBL16834752

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.52
EGLN2 Q96KS0 1/20 0.52
EGLN1 Q9GZT9 2/20 0.52
TLR7 Q9NYK1 5/20 0.47
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
GPR132 Q9UNW8 2/20 0.44
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FPR2 P25090 1/20 0.41
PPARG P37231 1/20 0.40

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
SCHEMBL16834588 1.00 FTO (0.52) FTOEGLN2EGLN1TLR7CA2
SCHEMBL8882571 0.90 FTO (0.51) FTOEGLN2EGLN1TLR7CA2
SCHEMBL8779226 0.90 FTO (0.51) FTOEGLN2EGLN1TLR7CA2
SCHEMBL8779215 0.90 FTO (0.51) FTOEGLN2EGLN1TLR7CA2
SCHEMBL16834813 0.85 FTO (0.55) FTOEGLN2EGLN1TLR7CA2
SCHEMBL1921280 0.85 FTO (0.55) FTOEGLN2EGLN1TLR7CA2
SCHEMBL14284378 0.79 ALDH1A1 (0.61) FTOEGLN2LMNAGAAHPGD
SCHEMBL16834675 0.79 FTO (0.54) FTOEGLN2CA2CA1FPR2
SCHEMBL16834681 0.79 FTO (0.54) FTOEGLN2CA2CA1FPR2
SCHEMBL1921253 0.77 FTO (0.49) FTOEGLN2TLR7

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
WO-2015092412-A1 CHEMICAL COMPOUNDS ISIS INNOVATION LIMITED (GB) 2015-06-25 WO claimed
WO-2015092412-A1 CHEMICAL COMPOUNDS ISIS INNOVATION LIMITED (GB) 2015-06-25 WO disclosed
WO-2015092412-A1 CHEMICAL COMPOUNDS ISIS INNOVATION LIMITED (GB) 2015-06-25 WO disclosed