SCHEMBL7044656

SCHEMBL7044656

CC(NC[C@H](O)COc1ccc(O)c(NS(=O)(=O)c2ccc(Cl)cc2)c1)C(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 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
HSD17B10 Q99714 1/20 0.50
ADRB3 P13945 5/20 0.47
ADRB2 P07550 6/20 0.44
ADRB1 P08588 5/20 0.44
NPSR1 Q6W5P4 2/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B2 P37059 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 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
SCHEMBL7042588 0.94 ADRB3 (0.50) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL7042479 0.93 ADRB2 (0.50) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL7174716 0.90 ALDH1A1 (0.49) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL7044138 0.89 ADRB3 (0.46) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL7042971 0.89 ADRB3 (0.52) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL7042688 0.84 ADRB2 (0.45) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL7044532 0.84 MEN1 (0.43) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL7042719 0.83 ADRB3 (0.51) MEN1KMT2AALDH1A1GAAHSD17B10
SCHEMBL7246876 0.82 ADRB3 (0.50) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL7044653 0.82 ADRB3 (0.48) MEN1KMT2AALDH1A1LMNATP53

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