SCHEMBL7040499

SCHEMBL7040499

CC(NC[C@H](O)c1ccc(O)c(NS(=O)(=O)c2ccccc2)c1)C(O)c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.56
ADRB2 P07550 1/20 0.48
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47

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
SCHEMBL7038139 0.89 ADRB3 (0.54) ADRB3ADRB2
SCHEMBL7612516 0.83 ADRB3 (0.56) ADRB3ADRB2GAAGFERAPOBEC3G
SCHEMBL7247060 0.82 ADRB3 (0.53) ADRB3ADRB2
SCHEMBL7040491 0.81 ADRB3 (0.64) ADRB3
SCHEMBL7042588 0.78 ADRB3 (0.50) ADRB3ADRB2GAAGFERAPOBEC3G
SCHEMBL6074436 0.77 ADRB3 (0.67) ADRB3ADRB2GAAGFERAPOBEC3G
SCHEMBL7042971 0.77 ADRB3 (0.52) ADRB3ADRB2GAAGFER
SCHEMBL7249280 0.77 ADRB3 (0.70) ADRB3
SCHEMBL12767911 0.77 GAA (0.64) ADRB3GAAGFERAPOBEC3G
SCHEMBL9421508 0.75 ADRB2 (0.58) ADRB3ADRB2GAA

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-1292564-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-19 EP disclosed
WO-2001062705-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-30 WO disclosed