SCHEMBL7208039

SCHEMBL7208039

CS(=O)(=O)Oc1ccc(CCCS(=O)(=O)O)cc1.O=Cc1ccc(OCCc2ccc(CS(=O)(=O)O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.45
PPARG P37231 6/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
S1PR1 P21453 3/20 0.39
LTA4H P09960 1/20 0.39
PPARD Q03181 2/20 0.38
STS P08842 1/20 0.35
S1PR3 Q99500 1/20 0.34

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
SCHEMBL7208044 0.85 ALDH1A1 (0.44) PPARAPPARGALDH1A1LMNAMAPT
SCHEMBL7987761 0.85 ALDH1A1 (0.55) PPARAPPARGALDH1A1LMNAMAPT
SCHEMBL5993835 0.85 HPGD (0.51) PPARAPPARGALDH1A1LMNAMAPT
SCHEMBL5698676 0.80 PPARA (0.48) PPARAPPARGALDH1A1S1PR1LTA4H
SCHEMBL5994194 0.76 PPARA (0.50) PPARAPPARGS1PR1STSS1PR3
SCHEMBL8389838 0.76 ALDH1A1 (0.54) PPARAALDH1A1LMNAMAPTHPGD
SCHEMBL7996977 0.75 ALDH1A1 (0.46) PPARAPPARGALDH1A1LMNAMAPT
SCHEMBL10625111 0.75 ALDH1A1 (0.53) PPARAALDH1A1LMNAMAPTHPGD
SCHEMBL8386827 0.75 ALDH1A1 (0.53) PPARAALDH1A1LMNAMAPTHPGD
SCHEMBL31497792 0.74 MMP2 (0.41) PPARAPPARGALDH1A1STS

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
EP-1084103-B1 NEW 3-ARYL-2-HYDROXYPROPIONIC ACID DERIVATIVE (I) ASTRAZENECA AB (SE) 2003-08-06 EP disclosed