SCHEMBL7361406

SCHEMBL7361406

COc1ccc(C(=O)O)cc1O[C@H]1CCOC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 19/20 0.72
PDE4A P27815 10/20 0.72
PDE4B Q07343 10/20 0.72
PDE4C Q08493 10/20 0.72
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA7 P43166 1/20 0.56
TPMT P51580 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56

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
SCHEMBL7359837 1.00 PDE4D (0.72) PDE4DPDE4APDE4BPDE4CCA12
SCHEMBL7360996 1.00 PDE4D (0.72) PDE4DPDE4APDE4BPDE4CCA12
SCHEMBL2586121 0.95 PDE4D (0.72) PDE4DPDE4APDE4BPDE4CCA12
SCHEMBL2586118 0.95 PDE4D (0.72) PDE4DPDE4APDE4BPDE4CCA12
SCHEMBL17908087 0.95 PDE4D (0.72) PDE4DPDE4APDE4BPDE4CCA12
SCHEMBL7356965 0.92 PDE4D (0.71) PDE4DPDE4APDE4BPDE4CCA12
SCHEMBL13343031 0.90 PDE4D (0.72) PDE4DPDE4APDE4BPDE4C
SCHEMBL3371634 0.90 PDE4D (0.72) PDE4DPDE4APDE4BPDE4C
SCHEMBL7360621 0.90 PDE4D (0.72) PDE4DPDE4APDE4BPDE4C
SCHEMBL7361578 0.88 PDE4D (0.71) PDE4DPDE4APDE4BPDE4C

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