SCHEMBL29454657

SCHEMBL29454657

CC(F)(Cc1cccc(OS(=O)(=O)C(F)(F)F)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
DRD2 P14416 2/20 0.42
DRD1 P21728 2/20 0.42
DRD4 P21917 2/20 0.42
DRD5 P21918 2/20 0.42
DRD3 P35462 2/20 0.42
HSD11B1 P28845 1/20 0.39
PTPRB P23467 1/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
GRM2 Q14416 1/20 0.37
CTSD P07339 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL20103512 0.89 PTPRB (0.46) PPARGPPARADRD2DRD1DRD4
SCHEMBL5175800 0.89 PPARG (0.42) PPARGPPARADRD2DRD1DRD4
SCHEMBL13114553 0.81 PPARA (0.46) PPARGPPARADRD2DRD1DRD4
SCHEMBL4465269 0.81 PTGDR2 (0.48) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8499667 0.80 DRD2 (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6937296 0.79 CYP4F2 (0.55) PPARGPPARADRD2DRD1DRD4
SCHEMBL1904920 0.79 SLC7A5 (0.49) PDK2CYP1A2
SCHEMBL27720514 0.79 ALDH1A1 (0.53) DRD2DRD1DRD4DRD5DRD3
SCHEMBL12621537 0.77 PTPRB (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL12621540 0.77 CA12 (0.40) PPARGPPARADRD2DRD1DRD4

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-3976576-A1 GPR40 AGONISTS Kallyope, Inc. (US) 2022-04-06 EP disclosed