SCHEMBL7044532

SCHEMBL7044532

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HSD17B3 P37058 1/20 0.43
HSD17B2 P37059 1/20 0.43
ADRB3 P13945 11/20 0.42
ADRB2 P07550 11/20 0.41
ADRB1 P08588 9/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 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
SCHEMBL7174716 0.93 ALDH1A1 (0.49) MEN1ALDH1A1LMNATP53GAA
SCHEMBL7044138 0.92 ADRB3 (0.46) MEN1ALDH1A1LMNATP53GAA
SCHEMBL7042688 0.91 ADRB2 (0.45) MEN1ALDH1A1LMNATP53GAA
SCHEMBL7042719 0.90 ADRB3 (0.51) MEN1ALDH1A1GAAKMT2AHSD17B10
SCHEMBL7042479 0.85 ADRB2 (0.50) MEN1ALDH1A1LMNATP53GAA
SCHEMBL7044656 0.84 MEN1 (0.50) MEN1ALDH1A1LMNATP53GAA
SCHEMBL7042588 0.82 ADRB3 (0.50) MEN1ALDH1A1LMNATP53GAA
SCHEMBL7253430 0.82 ADRB3 (0.46) MEN1ALDH1A1LMNATP53GAA
SCHEMBL7042971 0.81 ADRB3 (0.52) MEN1ALDH1A1LMNATP53GAA
SCHEMBL7044530 0.81 ADRB3 (0.43) MEN1ALDH1A1LMNATP53GAA

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