SCHEMBL5206460

SCHEMBL5206460

COc1cc(OB(O)O)cc(OC)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ERN1 O75460 2/20 0.34
ALDH1A1 P00352 4/20 0.33
ENPP2 Q13822 1/20 0.33
MAPT P10636 4/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32

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
SCHEMBL5207796 0.81 CYP3A4 (0.52) CA9ERN1MAPTMEN1KMT2A
SCHEMBL6628469 0.81 RXFP1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL5206042 0.79 CA12 (0.35) CA12CA1CA2CA7CA9
SCHEMBL30583101 0.79 GAA (0.36) CA9ERN1ALDH1A1ENPP2MAPT
SCHEMBL7587280 0.79 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL5208181 0.78 CNKSR1 (0.35) CA12CA1CA2CA7CA9
SCHEMBL15883267 0.77 ALDH1A1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL5203369 0.76 MEN1 (0.33) CA12CA1CA2CA7CA9
SCHEMBL2178296 0.75 CA2 (0.61) CA12CA1CA2CA7CA9
SCHEMBL28080318 0.75 ALDH1A1 (0.46) CA1CA2ERN1ALDH1A1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403250-B1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
EP-1403251-B1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
EP-1403250-A1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
EP-1403251-A1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed