SCHEMBL6552283

SCHEMBL6552283

CCCS(=O)(=O)N(C(=O)OC(C)(C)C)c1cc(OC[C@H]2CO2)ccc1OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
APP P05067 2/20 0.36
FFAR1 O14842 1/20 0.36
KCNE1 P15382 2/20 0.36
KCNQ1 P51787 2/20 0.36
GHSR Q92847 4/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
HIF1A Q16665 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 3/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 3/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 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
SCHEMBL5679194 1.00 MEN1 (0.37) MEN1KMT2AAPPFFAR1KCNE1
SCHEMBL5209967 0.95 MEN1 (0.36) MEN1KMT2AAPPFFAR1KCNE1
SCHEMBL3290077 0.95 MEN1 (0.36) MEN1KMT2AAPPFFAR1KCNE1
SCHEMBL3287419 0.92 MEN1 (0.39) MEN1KMT2AAPPFFAR1GHSR
SCHEMBL5263054 0.92 MEN1 (0.39) MEN1KMT2AAPPFFAR1GHSR
SCHEMBL3142761 0.91 MEN1 (0.40) MEN1KMT2AAPPFFAR1KCNE1
SCHEMBL3142767 0.91 MEN1 (0.40) MEN1KMT2AAPPFFAR1KCNE1
SCHEMBL5203422 0.91 MEN1 (0.40) MEN1KMT2AAPPFFAR1KCNE1
SCHEMBL5207827 0.90 MGLL (0.39) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL5207830 0.90 MGLL (0.39) MEN1KMT2AHDAC3HDAC1HDAC2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292572-B1 PROPANOLAMINOTETRALINES, PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2004-02-18 EP disclosed
EP-1292572-A1 PROPANOLAMINOTETRALINES, PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2003-03-19 EP disclosed
WO-2001094307-A1 PROPANOLAMINOTETRALINES, PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2001-12-13 WO disclosed