SCHEMBL9707033

SCHEMBL9707033

CC(Cc1ccc(OC(C)(C)C(=O)O)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.50
PPARG P37231 8/20 0.50
ADRB3 P13945 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.46
PPARD Q03181 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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 1.00 PPARA (0.50) PPARAPPARGADRB3ALDH1A1CYP1A2
SCHEMBL9707109 0.91 TDP1 (0.49) PPARAPPARGALDH1A1POLBPPARD
SCHEMBL9303566 0.90 PPARA (0.56) PPARAPPARGALDH1A1CYP1A2CYP2C19
SCHEMBL9707054 0.90 ALDH1A1 (0.49) PPARAPPARGALDH1A1CYP1A2CYP2C9
SCHEMBL9707059 0.90 ALDH1A1 (0.49) PPARAPPARGALDH1A1CYP1A2CYP2C9
SCHEMBL9707086 0.90 PPARA (0.56) PPARAPPARGALDH1A1CYP1A2CYP2C19
SCHEMBL9707077 0.88 PPARA (0.48) PPARAPPARGALDH1A1CYP1A2CYP2C9
SCHEMBL9707079 0.88 PPARA (0.48) PPARAPPARGALDH1A1CYP1A2CYP2C9
SCHEMBL9707028 0.83 ALDH1A1 (0.49) PPARAPPARGALDH1A1CYP1A2CYP2C9
SCHEMBL9707045 0.81 PPARA (0.55) PPARAALDH1A1

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 disclosed