SCHEMBL7042491

SCHEMBL7042491

CC(O)C(N[C@H](CO)Cc1ccc(O)cc1)Oc1ccc(O)c(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
GFER P55789 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ADRB3 P13945 7/20 0.39
ADRB2 P07550 3/20 0.38
ADRB1 P08588 2/20 0.38
HDAC1 Q13547 1/20 0.38
PRKCG P05129 4/20 0.38
PRKCB P05771 4/20 0.38
PRKCA P17252 4/20 0.38
PRKCE Q02156 4/20 0.38
PRKCD Q05655 4/20 0.38
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7251589 0.84 STING1 (0.41) GAAGFERAPOBEC3GADRB3ADRB2
SCHEMBL7610449 0.80 GAA (0.42) GAAGFERAPOBEC3GADRB3ADRB2
SCHEMBL7611182 0.80 GAA (0.44) GAAGFERAPOBEC3GADRB3ADRB2
SCHEMBL7042485 0.79 ADRB3 (0.52) ADRB3ADRB2ADRB1
SCHEMBL7040491 0.75 ADRB3 (0.64) ADRB3
SCHEMBL7609836 0.74 ADRB3 (0.47) GAAGFERADRB3ADRB2ADRB1
SCHEMBL7042965 0.74 ADRB3 (0.59) GAAADRB3ADRB2ADRB1ALDH1A1
SCHEMBL7608479 0.73 ADRB3 (0.48) GAAGFERAPOBEC3GADRB3ADRB2
SCHEMBL7042585 0.73 ADRB3 (0.51) ADRB3ADRB2ADRB1
SCHEMBL7248566 0.73 ADRB3 (0.64) ADRB3ADRB2ADRB1

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