SCHEMBL7513484

SCHEMBL7513484

CCOC(=O)C(CC(=O)c1c(C(C)C)nn2ccccc12)C(=O)OCC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.72
PDE4B Q07343 7/20 0.58
PDE5A O76074 6/20 0.58
ALDH1A1 P00352 5/20 0.58
PDE3A Q14432 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
CYP1A2 P05177 3/20 0.58
CYP3A4 P08684 3/20 0.58
TSHR P16473 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
PDE4A P27815 1/20 0.58
ADORA2A P29274 1/20 0.58
ADORA1 P30542 1/20 0.58
BLM P54132 1/20 0.58
PDE4C Q08493 1/20 0.58
PDE4D Q08499 1/20 0.58
PDE3B Q13370 1/20 0.58

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
SCHEMBL30957108 0.84 ALDH1A1 (0.65) MIFPDE4BPDE5AALDH1A1PDE3A
SCHEMBL22947697 0.84 MIF (1.00) MIFPDE4BPDE5AALDH1A1PDE3A
SCHEMBL655570 0.82 MIF (0.78) MIFPDE4BPDE5AALDH1A1PDE3A
SCHEMBL4340673 0.80 MIF (0.74) MIFPDE4BPDE5AALDH1A1PDE3A
SCHEMBL3192726 0.79 MIF (0.76) MIFPDE4BPDE5AALDH1A1PDE3A
SCHEMBL3185498 0.79 MIF (0.76) MIFPDE4BPDE5AALDH1A1PDE3A
SCHEMBL7509505 0.79 MIF (0.76) MIFPDE4BPDE5AALDH1A1PDE3A
SCHEMBL7509477 0.78 PDE4B (0.64) MIFPDE4BPDE5AALDH1A1PDE3A
SCHEMBL2709876 0.78 MIF (0.74) MIFPDE4BPDE5AALDH1A1PDE3A
SCHEMBL7508100 0.77 MIF (0.72) MIFPDE4BPDE5AALDH1A1PDE3A

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-0989129-B1 PYRAZOLOPYRIDYLPYRIDAZINONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KYORIN SEIYAKU KK (JP) 2002-12-11 EP disclosed
US-6265577-B1 PHOSPHODIESTERASE INHIBITORS, BRONCHODILATORS KYORIN PHARMACEUTICALS CO., LTD. (JP) 2001-07-24 US disclosed
EP-0989129-A1 PYRAZOLOPYRIDYLPYRIDAZINONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-03-29 EP disclosed