SCHEMBL9707039

SCHEMBL9707039

CCC(NC(=O)C(C)(C)Oc1ccc(C[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
CNR1 P21554 7/20 0.41
CNR2 P34972 5/20 0.41
ALDH1A1 P00352 2/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TSHR P16473 1/20 0.41
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
CTSL P07711 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL9707106 0.83 ALDH1A1 (0.48) PPARASMN1; SMN2TDP1GAAALDH1A1
SCHEMBL9707109 0.82 TDP1 (0.49) PPARATDP1GAAALDH1A1CA12
SCHEMBL9707053 0.81 ALDH1A1 (0.48) PPARASMN1; SMN2TDP1GAACNR1
SCHEMBL9707043 0.80 ALDH1A1 (0.43) PPARATDP1GAAALDH1A1CA2
SCHEMBL9707075 0.79 PPARA (0.45) PPARATDP1GAAALDH1A1TSHR
SCHEMBL9707071 0.78 ALDH1A1 (0.43) PPARATDP1GAAALDH1A1CA12
SCHEMBL9707084 0.76 PPARA (0.61) PPARASMN1; SMN2TDP1CNR1CNR2
SCHEMBL9707083 0.76 PPARA (0.61) PPARASMN1; SMN2TDP1CNR1CNR2
SCHEMBL9707077 0.75 PPARA (0.48) PPARASMN1; SMN2GAACNR1CNR2
SCHEMBL9707079 0.75 PPARA (0.48) PPARASMN1; SMN2GAACNR1CNR2

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