SCHEMBL16498151

SCHEMBL16498151

COCCOc1cnc(-c2ccccc2-c2csc(N(C(=O)[C@@H](CC(=O)O)CC3CCCC3)C3CC3)n2)cn1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 11/20 0.75
SLC12A5 Q9H2X9 3/20 0.33
CTSK P43235 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
USP30 Q70CQ3 2/20 0.31
UCHL1 P09936 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
SCHEMBL16498154 1.00 FFAR2 (0.75) FFAR2SLC12A5CTSKALDH1A1TP53
SCHEMBL16498608 0.93 FFAR2 (0.84) FFAR2SLC12A5CTSKALDH1A1MMP2
SCHEMBL16498610 0.93 FFAR2 (0.84) FFAR2SLC12A5CTSKALDH1A1MMP2
SCHEMBL16498042 0.92 FFAR2 (0.86) FFAR2SLC12A5ALDH1A1TP53GAA
SCHEMBL16498045 0.92 FFAR2 (0.86) FFAR2SLC12A5ALDH1A1TP53GAA
SCHEMBL1915824 0.86 FFAR2 (1.00) FFAR2SLC12A5ALDH1A1MMP2MMP9
SCHEMBL1915829 0.86 FFAR2 (1.00) FFAR2SLC12A5ALDH1A1MMP2MMP9
SCHEMBL16498080 0.86 FFAR2 (0.71) FFAR2SLC12A5CTSKMMP2MMP9
SCHEMBL16498084 0.86 FFAR2 (0.71) FFAR2SLC12A5CTSKMMP2MMP9
SCHEMBL1915492 0.85 FFAR2 (0.98) FFAR2SLC12A5CTSKALDH1A1MMP2

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