SCHEMBL16498045

SCHEMBL16498045

COCCOc1ccc(-c2ccccc2-c2csc(N(C(=O)C(CC(=O)O)CC3CCCC3)C3CC3)n2)cn1

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 11/20 0.86
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
SLC12A5 Q9H2X9 3/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32

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
SCHEMBL16498042 1.00 FFAR2 (0.86) FFAR2CPT2CPT1ASLC12A5ALDH1A1
SCHEMBL16498064 0.93 FFAR2 (0.81) FFAR2CPT2CPT1ASLC12A5MMP2
SCHEMBL16498063 0.93 FFAR2 (0.81) FFAR2CPT2CPT1ASLC12A5MMP2
SCHEMBL1915824 0.93 FFAR2 (1.00) FFAR2CPT2CPT1ASLC12A5ALDH1A1
SCHEMBL1915829 0.93 FFAR2 (1.00) FFAR2CPT2CPT1ASLC12A5ALDH1A1
SCHEMBL16498151 0.92 FFAR2 (0.75) FFAR2SLC12A5ALDH1A1TP53GAA
SCHEMBL16498154 0.92 FFAR2 (0.75) FFAR2SLC12A5ALDH1A1TP53GAA
SCHEMBL1915491 0.92 FFAR2 (0.98) FFAR2CPT2CPT1ASLC12A5ALDH1A1
SCHEMBL1915492 0.92 FFAR2 (0.98) FFAR2CPT2CPT1ASLC12A5ALDH1A1
SCHEMBL16498339 0.91 FFAR2 (0.97) FFAR2CPT2CPT1ASLC12A5ALDH1A1

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