SCHEMBL7459899

SCHEMBL7459899

CCOC(=O)c1ccc(N(C2CCNCC2)C(Oc2ccc(O)c(S(C)(=O)=O)c2)[C@H](C)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
STS P08842 1/20 0.37
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
CA7 P43166 2/20 0.35
CA14 Q9ULX7 2/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7459890 0.80 POLB (0.37) MAPTSTSCA1CA2CA12
SCHEMBL7822124 0.73 JMJD6 (0.36) MAPTCA1CA2CA12CA9
SCHEMBL7456343 0.73 CA12 (0.43) MAPTCA1CA2CA12CA9
SCHEMBL7470311 0.71 MBTPS1 (0.33) LMNAHSD17B10SLC6A4SLC6A2RAB9A
SCHEMBL27574703 0.68 CA12 (0.45) MAPTSTSCA1CA2CA12
SCHEMBL7553552 0.66 MAPT (0.35) MAPTCA1CA2CA12CA9
SCHEMBL9216214 0.65 GAA (0.46) MAPTSTSCA1CA2CA12
SCHEMBL5264242 0.65 MAPT (0.42) MAPTSTSMEN1LMNAKMT2A
SCHEMBL3288048 0.65 MAPT (0.42) MAPTSTSMEN1LMNAKMT2A
SCHEMBL5205600 0.64 ADRB3 (0.50) LMNA

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-1242083-A1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Sanofi-Aventis (FR) 2002-09-25 EP disclosed
WO-2001043744-A1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-06-21 WO disclosed