SCHEMBL7042479

SCHEMBL7042479

CC(NC[C@H](O)COc1ccc(O)c(NS(=O)(=O)c2ccc(Cl)cc2)c1)C(O)c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.50
ADRB3 P13945 14/20 0.50
ADRB1 P08588 12/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HSD17B2 P37059 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL7044656 0.93 MEN1 (0.50) ADRB2ADRB3ADRB1MEN1ALDH1A1
SCHEMBL7174716 0.92 ALDH1A1 (0.49) ADRB2ADRB3ADRB1MEN1ALDH1A1
SCHEMBL7042688 0.91 ADRB2 (0.45) ADRB2ADRB3ADRB1MEN1ALDH1A1
SCHEMBL7042588 0.86 ADRB3 (0.50) ADRB2ADRB3ADRB1MEN1ALDH1A1
SCHEMBL7044532 0.85 MEN1 (0.43) ADRB2ADRB3ADRB1MEN1ALDH1A1
SCHEMBL7044138 0.85 ADRB3 (0.46) ADRB2ADRB3ADRB1MEN1ALDH1A1
SCHEMBL7042719 0.85 ADRB3 (0.51) ADRB2ADRB3ADRB1MEN1ALDH1A1
SCHEMBL7042971 0.85 ADRB3 (0.52) ADRB2ADRB3ADRB1MEN1ALDH1A1
SCHEMBL7251688 0.82 ADRB3 (0.59) ADRB2ADRB3ADRB1MEN1ALDH1A1
SCHEMBL7042476 0.82 ADRB3 (0.54) ADRB2ADRB3ADRB1MEN1ALDH1A1

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