SCHEMBL7208044

SCHEMBL7208044

CS(=O)(=O)Oc1ccc(CCCS(=O)(=O)OS(=O)(=O)Cc2ccc(CCOc3ccc(C=O)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARA Q07869 10/20 0.43
PPARG P37231 7/20 0.43
PPARD Q03181 2/20 0.36
STS P08842 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 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
SCHEMBL7208039 0.85 PPARA (0.45) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL7987761 0.85 ALDH1A1 (0.55) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL5993835 0.72 HPGD (0.51) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL7996910 0.72 ALDH1A1 (0.55) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL7996977 0.72 ALDH1A1 (0.46) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL7987746 0.72 ALDH1A1 (0.51) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL465539 0.71 HPGD (0.69) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL7987738 0.71 MEN1 (0.55) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL13156122 0.71 PPARA (0.57) PPARAPPARGPPARDCA12CA1
SCHEMBL12442802 0.71 PPARA (0.57) PPARAPPARGPPARDCA12CA1

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