SCHEMBL7553552

SCHEMBL7553552

CCOC(=O)c1ccc(N(CC(O)COc2ccc(O)c([S+](C)[O-])c2)C2CCNCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 3/20 0.33
TP53 P04637 2/20 0.33
MAPK1 P28482 2/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
RAD52 P43351 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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 0.85 POLB (0.37) MAPTLMNAALDH1A1POLBMEN1
SCHEMBL7459064 0.80 ADRB3 (0.38) MAPTPOLBSLC6A4
SCHEMBL7470143 0.74 MAPT (0.36) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL5208641 0.74 ADRB3 (0.44) LMNA
SCHEMBL7822122 0.73 MAPT (0.36) MAPTLMNAALDH1A1POLBMEN1
SCHEMBL7468045 0.72 MAPT (0.34) MAPTALDH1A1MEN1KMT2AUSP2
SCHEMBL7460652 0.72 MAPT (0.34) MAPTALDH1A1MEN1KMT2AUSP2
SCHEMBL7456333 0.71 SLC6A2 (0.43) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL7458989 0.71 HRH3 (0.43) LMNA
SCHEMBL7470305 0.70 MAPT (0.37) MAPTLMNAALDH1A1POLBGAA

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