SCHEMBL7605897

SCHEMBL7605897

COC(=O)Nc1ccc(C(CNC[C@H](O)c2ccc(O)c(NS(=O)(=O)c3ccccc3)c2)c2ccc(NC(=O)OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.56
GAA P10253 2/20 0.48
GFER P55789 2/20 0.48
APOBEC3G Q9HC16 1/20 0.48
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ADRB2 P07550 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7611605 0.92 ADRB3 (0.56) ADRB3GAAGFERAPOBEC3GADRB2
SCHEMBL7607692 0.88 ADRB3 (0.66) ADRB3
SCHEMBL7613195 0.86 ADRB3 (0.61) ADRB3
SCHEMBL7611045 0.86 ADRB3 (0.54) ADRB3GAAGFERAPOBEC3GADRB2
SCHEMBL7612516 0.85 ADRB3 (0.56) ADRB3GAAGFERAPOBEC3GADRB2
SCHEMBL7605903 0.84 GAA (0.47) ADRB3GAAGFERAPOBEC3GKMT2A
SCHEMBL7610363 0.82 ADRB2 (0.54) ADRB3ADRB2
SCHEMBL7611056 0.81 ADRB3 (0.45) ADRB3GAAGFERAPOBEC3GKMT2A
SCHEMBL6322159 0.81 ADRB3 (0.63) ADRB3
SCHEMBL7605372 0.78 ADRB3 (0.62) ADRB3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO disclosed