SCHEMBL2068032

SCHEMBL2068032

CCC(Oc1ccc(Sc2cc(Br)cc(Br)n2)cc1C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
PPARD Q03181 10/20 0.40
PPARG P37231 3/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.36
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
P2RX3 P56373 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 0.89 PPARA (0.48) PPARASMN1; SMN2PPARDPPARGPTGDR2
SCHEMBL2069236 0.87 PPARA (0.50) PPARASMN1; SMN2PPARDPPARGPTGDR2
SCHEMBL2822213 0.81 PPARD (0.54) PPARAPPARDPPARG
SCHEMBL2068681 0.77 PPARA (0.39) PPARASMN1; SMN2PPARDPPARGPTGDR2
SCHEMBL4816920 0.76 PPARA (0.59) PPARASMN1; SMN2PPARDPPARGPTGDR2
SCHEMBL2069381 0.75 PPARA (0.46) PPARASMN1; SMN2PPARDPPARGPTGDR2
SCHEMBL2068774 0.74 PPARD (0.38) PPARASMN1; SMN2PPARDPPARGPTGDR2
SCHEMBL2068744 0.73 PPARA (0.41) PPARASMN1; SMN2PPARDPPARGPTGDR2
SCHEMBL6237463 0.73 PPARD (0.63) PPARAPPARDPPARG
SCHEMBL1417068 0.72 PPARA (0.36) PPARASMN1; SMN2PPARDPPARGTSHR

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