SCHEMBL9696465

SCHEMBL9696465

CC(C)(C)c1ccc(OC(CCCCS(=O)(=O)c2ccc(Cl)cc2)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.55
PPARG P37231 16/20 0.55
CTRC Q99895 1/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42

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
SCHEMBL9696460 0.88 PPARA (0.58) PPARAPPARGCTRC
SCHEMBL9697426 0.84 PPARG (0.49) PPARAPPARG
SCHEMBL9614218 0.83 PPARA (0.73) PPARAPPARG
SCHEMBL9614193 0.83 PPARA (0.73) PPARAPPARG
SCHEMBL9858575 0.83 PPARA (0.63) PPARAPPARGSMN1; SMN2
SCHEMBL9696483 0.83 PPARA (0.81) PPARAPPARG
SCHEMBL9696954 0.79 PPARA (0.53) PPARAPPARGSMN1; SMN2
SCHEMBL9858289 0.77 PPARG (0.51) PPARAPPARGCTRC
SCHEMBL9696319 0.77 PPARG (0.61) PPARAPPARGCTRCSMN1; SMN2
SCHEMBL9697442 0.75 PPARA (0.67) PPARAPPARG

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-0507238-A1 Optically active carboxylic acids and medicinal preparations containing them Roche Diagnostics GmbH (DE) 1992-10-07 EP disclosed