SCHEMBL7357282

SCHEMBL7357282

COC(=O)c1ccc(O)c(OC2CC3CCC2O3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
XDH P47989 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7356364 0.85 SLC6A3 (0.37) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL7357012 0.83 PDE4D (0.44) SLC6A3
SCHEMBL7361530 0.80 NPC1 (0.45) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL8553907 0.77 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL7363109 0.77 PDE4D (0.42) CA12CA1CA2CA7CA9
SCHEMBL18031244 0.76 CA12 (0.57) CA12CA1CA2CA7XDH
SCHEMBL7355374 0.74 CA12 (0.54) CA12CA1CA2CA7XDH
SCHEMBL7358710 0.73 AR (0.36) CA12CA1CA2CA7CA9
SCHEMBL7362118 0.72 PDE4D (0.55) CA12CA1CA2CA7XDH
SCHEMBL7363003 0.70 PDE4D (0.44)

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-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed