SCHEMBL16498102

SCHEMBL16498102

Cn1ncc2cc(-c3ccccc3-c3csc(N(C(=O)[C@@H](CC(=O)O)CC4CCCC4)C4CC4)n3)cnc21

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 11/20 0.71
SLC12A5 Q9H2X9 5/20 0.34
CYP1A2 P05177 1/20 0.33
TYR P14679 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL16498965 1.00 FFAR2 (0.71) FFAR2SLC12A5CYP1A2TYRMMP2
SCHEMBL2051654 0.90 FFAR2 (0.71) FFAR2SLC12A5CYP1A2TYRMMP2
SCHEMBL2399185 0.90 FFAR2 (0.71) FFAR2SLC12A5CYP1A2TYRMMP2
SCHEMBL16498807 0.90 FFAR2 (0.70) FFAR2SLC12A5CYP1A2TYRPIK3CD
SCHEMBL16498689 0.90 FFAR2 (0.70) FFAR2SLC12A5CYP1A2TYRPIK3CD
SCHEMBL1915897 0.89 FFAR2 (0.71) FFAR2SLC12A5CYP1A2TYRMMP2
SCHEMBL1915893 0.89 FFAR2 (0.71) FFAR2SLC12A5CYP1A2TYRMMP2
SCHEMBL1916394 0.88 FFAR2 (0.70) FFAR2SLC12A5
SCHEMBL1916398 0.88 FFAR2 (0.70) FFAR2SLC12A5
SCHEMBL16498058 0.88 FFAR2 (0.68) FFAR2SLC12A5MMP2MMP9MMP12

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