SCHEMBL7822124

SCHEMBL7822124

CCOC(=O)c1ccnc(N(C2CCNCC2)C(Oc2ccc(O)cc2)C(C)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 3/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ESR1 P03372 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
ESR2 Q92731 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TP53 P04637 2/20 0.35
PIK3CA P42336 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR2A P28223 1/20 0.34
MAPK14 Q16539 1/20 0.34
KDM5B Q9UGL1 1/20 0.33
MBTPS1 Q14703 3/20 0.33
PTPN22 Q9Y2R2 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
SCHEMBL7820098 0.82 CYP1A2 (0.40) HTR2AMBTPS1PTPN22MAPTSLC6A2
SCHEMBL7822122 0.79 MAPT (0.36) JMJD6CA12CA1CA2ESR1
SCHEMBL7825521 0.79 ALDH1A1 (0.38) TP53MEN1LMNAKMT2AMBTPS1
SCHEMBL7456343 0.77 CA12 (0.43) CA12CA1CA2ESR1CA7
SCHEMBL7470311 0.76 MBTPS1 (0.33) LMNAHSD17B10MAPK14MBTPS1SLC6A2
SCHEMBL7459899 0.73 MAPT (0.37) CA12CA1CA2ESR1CA7
SCHEMBL7813717 0.72 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL7473202 0.70 HRH3 (0.34) TP53MEN1LMNAKMT2AMAPT
SCHEMBL7465483 0.67 MAPT (0.35) LMNAKMT2AMAPTKDM4EGAA
SCHEMBL27574703 0.66 CA12 (0.45) CA12CA1CA2ESR1CA7

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-1087961-A1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 2001-04-04 EP disclosed
WO-1999065895-A1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 1999-12-23 WO disclosed