SCHEMBL7044138

SCHEMBL7044138

CC(NC[C@H](O)COc1ccc(O)c(NS(=O)(=O)c2ccccc2)c1)C(O)c1ccc(O)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.46
ADRB2 P07550 8/20 0.44
ADRB1 P08588 7/20 0.44
KMT2A Q03164 3/20 0.43
GAA P10253 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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) ADRB3ADRB2ADRB1KMT2AGAA
SCHEMBL7044532 0.92 MEN1 (0.43) ADRB3ADRB2ADRB1KMT2AGAA
SCHEMBL7042588 0.91 ADRB3 (0.50) ADRB3ADRB2ADRB1KMT2AGAA
SCHEMBL7042971 0.90 ADRB3 (0.52) ADRB3ADRB2ADRB1KMT2AGAA
SCHEMBL7044656 0.89 MEN1 (0.50) ADRB3ADRB2ADRB1KMT2AGAA
SCHEMBL7042479 0.85 ADRB2 (0.50) ADRB3ADRB2ADRB1KMT2AGAA
SCHEMBL7038139 0.85 ADRB3 (0.54) ADRB3ADRB2
SCHEMBL7042688 0.82 ADRB2 (0.45) ADRB3ADRB2ADRB1KMT2AGAA
SCHEMBL7042719 0.81 ADRB3 (0.51) ADRB3ADRB2ADRB1KMT2AGAA
SCHEMBL7252671 0.81 ADRB3 (0.47) 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