SCHEMBL16498342

SCHEMBL16498342

COc1ccc(-c2ccccc2-c2csc(N(C(=O)C(CC(=O)O)CC3CCC3)C3CC3)n2)cn1

nearest known ligand 0.97

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 11/20 0.97
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38
CTSA P10619 1/20 0.37
SLC12A5 Q9H2X9 4/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL16498339 1.00 FFAR2 (0.97) FFAR2CPT2CPT1ACTSASLC12A5
SCHEMBL1915824 0.98 FFAR2 (1.00) FFAR2CPT2CPT1ACTSASLC12A5
SCHEMBL1915829 0.98 FFAR2 (1.00) FFAR2CPT2CPT1ACTSASLC12A5
SCHEMBL1915491 0.98 FFAR2 (0.98) FFAR2CPT2CPT1ACTSASLC12A5
SCHEMBL1915492 0.98 FFAR2 (0.98) FFAR2CPT2CPT1ACTSASLC12A5
SCHEMBL16498179 0.97 FFAR2 (0.94) FFAR2CPT2CPT1ACTSASLC12A5
SCHEMBL16498182 0.97 FFAR2 (0.94) FFAR2CPT2CPT1ACTSASLC12A5
SCHEMBL1916702 0.93 FFAR2 (0.87) FFAR2CPT2CPT1ACTSASLC12A5
SCHEMBL1916704 0.93 FFAR2 (0.87) FFAR2CPT2CPT1ACTSASLC12A5
SCHEMBL16498042 0.91 FFAR2 (0.86) FFAR2CPT2CPT1ASLC12A5MEN1

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