SCHEMBL9707028

SCHEMBL9707028

CC(Cc1ccc(OC(C)(C)C(=O)O)cc1)NS(=O)(=O)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
TP53 P04637 4/20 0.47
MAPT P10636 4/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
PPARA Q07869 3/20 0.45
PPARG P37231 1/20 0.45
TSHR P16473 2/20 0.44
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL9707058 0.83 PPARA (0.50) ALDH1A1MAPTSMN1; SMN2PPARAPPARG
SCHEMBL9707033 0.83 PPARA (0.50) ALDH1A1MAPTSMN1; SMN2PPARAPPARG
SCHEMBL9707109 0.79 TDP1 (0.49) ALDH1A1PPARAPPARGTSHR
SCHEMBL9303566 0.78 PPARA (0.56) ALDH1A1MAPTSMN1; SMN2PPARAPPARG
SCHEMBL9707086 0.78 PPARA (0.56) ALDH1A1MAPTSMN1; SMN2PPARAPPARG
SCHEMBL9707054 0.74 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2PPARAPPARG
SCHEMBL9707059 0.74 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2PPARAPPARG
SCHEMBL9707077 0.72 PPARA (0.48) ALDH1A1MAPTSMN1; SMN2HTTPPARA
SCHEMBL9707079 0.72 PPARA (0.48) ALDH1A1MAPTSMN1; SMN2HTTPPARA
SCHEMBL10203542 0.72 PPARG (0.68) MAPTPPARAPPARGCYP1A2CYP3A4

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-0502498-A1 Phenoxyalkanoic acid derivatives and process for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1992-09-09 EP claimed