SCHEMBL9707053

SCHEMBL9707053

Cc1ccc(S(=O)(=O)N[C@H](C)Cc2ccc(OC(C)(C)C(=O)Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
GAA P10253 1/20 0.46
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
PPARA Q07869 1/20 0.43
CA1 P00915 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EGFR P00533 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NR3C1 P04150 1/20 0.41
USP2 O75604 1/20 0.40
CNR1 P21554 2/20 0.40
POLB P06746 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL9707057 0.91 CNR1 (0.50) TDP1PPARAEGFRCNR1POLB
SCHEMBL9707109 0.90 TDP1 (0.49) ALDH1A1TSHRTDP1GAACA2
SCHEMBL9707106 0.89 ALDH1A1 (0.48) ALDH1A1TSHRTDP1GAACA2
SCHEMBL9303566 0.82 PPARA (0.56) ALDH1A1TDP1PPARASMN1; SMN2CNR1
SCHEMBL9707086 0.82 PPARA (0.56) ALDH1A1TDP1PPARASMN1; SMN2CNR1
SCHEMBL9707075 0.82 PPARA (0.45) ALDH1A1TSHRTDP1GAAPPARA
SCHEMBL9707015 0.81 CNR1 (0.49) TDP1PPARAEGFRCNR1POLB
SCHEMBL9707064 0.81 CNR1 (0.49) TDP1PPARAEGFRCNR1POLB
SCHEMBL9707068 0.81 CNR1 (0.49) TDP1PPARAEGFRCNR1POLB
SCHEMBL9707039 0.81 PPARA (0.42) ALDH1A1TSHRTDP1GAACA2

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