SCHEMBL2069356

SCHEMBL2069356

CCC(Oc1cccc(Sc2cc(Br)cc(Br)c2)c1C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
PPARA Q07869 9/20 0.39
LTB4R Q15722 1/20 0.36
PPARG P37231 7/20 0.36
SLC6A9 P48067 3/20 0.35
PPARD Q03181 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
PTGES O14684 3/20 0.33
ALOX5 P09917 3/20 0.33
MAPT P10636 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
SCHEMBL2069236 0.80 PPARA (0.50) SMN1; SMN2PPARAPPARGPPARDPTGDR2
SCHEMBL2821385 0.78 PTGDR2 (0.44) SMN1; SMN2PPARDPTGDR2ALDH1A1POLB
SCHEMBL8935705 0.75 SMN1; SMN2 (0.54) SMN1; SMN2PPARALTB4RPPARGPPARD
SCHEMBL8935703 0.75 SMN1; SMN2 (0.54) SMN1; SMN2PPARALTB4RPPARGPPARD
SCHEMBL31698014 0.72 SMN1; SMN2 (0.48) SMN1; SMN2PPARALTB4RPPARGPPARD
SCHEMBL28829280 0.72 SMN1; SMN2 (0.48) SMN1; SMN2PPARALTB4RPPARGPPARD
SCHEMBL22771505 0.72 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1POLBMAPK1MAPT
SCHEMBL4817584 0.71 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPPARGPPARDPTGDR2
SCHEMBL8935797 0.70 PPARA (0.49) SMN1; SMN2PPARALTB4RPPARGMAPT
SCHEMBL1245341 0.70 PPARA (0.49) SMN1; SMN2PPARALTB4RPPARGMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968723-B2 Compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-06-28 US disclosed