SCHEMBL2069236

SCHEMBL2069236

CCC(Oc1ccc(Sc2cc(Br)cc(Br)c2)cc1C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
PPARG P37231 3/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.39
PPARD Q03181 9/20 0.37
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL2068659 0.88 PPARA (0.48) PPARASMN1; SMN2PPARGPTGDR2PPARD
SCHEMBL2068032 0.87 PPARA (0.45) PPARASMN1; SMN2PPARGPTGDR2PPARD
SCHEMBL1417068 0.82 PPARA (0.36) PPARASMN1; SMN2PPARGPPARDTSHR
SCHEMBL4816920 0.82 PPARA (0.59) PPARASMN1; SMN2PPARGPTGDR2PPARD
SCHEMBL2068774 0.81 PPARD (0.38) PPARASMN1; SMN2PPARGPTGDR2PPARD
SCHEMBL2069356 0.80 SMN1; SMN2 (0.42) PPARASMN1; SMN2PPARGPTGDR2PPARD
SCHEMBL2070877 0.78 PPARA (0.43) PPARASMN1; SMN2PPARGPTGDR2PPARD
SCHEMBL2820783 0.77 PPARD (0.59) PPARAPTGDR2PPARD
SCHEMBL2068681 0.77 PPARA (0.39) PPARASMN1; SMN2PPARGPTGDR2PPARD
SCHEMBL2069381 0.76 PPARA (0.46) PPARASMN1; SMN2PPARGPTGDR2PPARD

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