SCHEMBL16498340

SCHEMBL16498340

Cn1nnc2ncc(-c3ccccc3-c3csc(N(C(=O)[C@@H](CC(=O)O)CC4CCCC4)C4CC4)n3)cc21

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 11/20 0.69
SLC12A5 Q9H2X9 5/20 0.35
CYP1A2 P05177 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
TYR P14679 1/20 0.30

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
SCHEMBL1916941 0.90 FFAR2 (0.70) FFAR2SLC12A5CYP1A2MMP2MMP9
SCHEMBL2397947 0.90 FFAR2 (0.70) FFAR2SLC12A5CYP1A2MMP2MMP9
SCHEMBL1916398 0.87 FFAR2 (0.70) FFAR2SLC12A5
SCHEMBL1916762 0.87 FFAR2 (0.70) FFAR2SLC12A5
SCHEMBL2399168 0.87 FFAR2 (0.70) FFAR2SLC12A5
SCHEMBL1916394 0.87 FFAR2 (0.70) FFAR2SLC12A5
SCHEMBL16498102 0.86 FFAR2 (0.71) FFAR2SLC12A5CYP1A2MMP2MMP9
SCHEMBL16498965 0.86 FFAR2 (0.71) FFAR2SLC12A5CYP1A2MMP2MMP9
SCHEMBL1917516 0.85 FFAR2 (0.68) FFAR2
SCHEMBL1917511 0.85 FFAR2 (0.68) FFAR2

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
WO-2011151434-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-12-08 WO claimed
WO-2011151434-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed