SCHEMBL9707046

SCHEMBL9707046

C[C@H](Cc1ccc(OC(C)(C)C(=O)NCCC(=O)O)cc1)NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PPARA Q07869 6/20 0.51
CNR1 P21554 11/20 0.49
CNR2 P34972 6/20 0.49
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
SCHEMBL9707025 1.00 POLB (0.54) POLBTDP1PPARACNR1CNR2
SCHEMBL9707024 0.91 POLB (0.53) POLBTDP1PPARACNR1CNR2
SCHEMBL9707100 0.91 POLB (0.53) POLBTDP1PPARACNR1CNR2
SCHEMBL9707086 0.87 PPARA (0.56) POLBTDP1PPARACNR1CNR2
SCHEMBL9303566 0.87 PPARA (0.56) POLBTDP1PPARACNR1CNR2
SCHEMBL9707075 0.86 PPARA (0.45) POLBTDP1PPARANPSR1
SCHEMBL9707057 0.85 CNR1 (0.50) POLBTDP1PPARACNR1CNR2
SCHEMBL9707015 0.84 CNR1 (0.49) POLBTDP1PPARACNR1CNR2
SCHEMBL9707068 0.84 CNR1 (0.49) POLBTDP1PPARACNR1CNR2
SCHEMBL9707064 0.84 CNR1 (0.49) POLBTDP1PPARACNR1CNR2

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