SCHEMBL7355219

SCHEMBL7355219

COC(=O)c1ccc([N+](=O)[O-])c(OC2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.49
PDE4A P27815 4/20 0.49
PDE4B Q07343 4/20 0.49
PDE4C Q08493 4/20 0.49
HPGD P15428 3/20 0.49
PDE5A O76074 1/20 0.47
VCAM1 P19320 1/20 0.47
AR P10275 1/20 0.47
PELP1 Q8IZL8 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 1/20 0.45
KAT2B Q92831 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL19899988 0.93 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CHPGD
SCHEMBL3795836 0.93 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CHPGD
SCHEMBL20817334 0.93 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CHPGD
SCHEMBL23929990 0.92 HPGD (0.53) HPGDPDE5AVCAM1ARPELP1
SCHEMBL30138067 0.92 HPGD (0.53) HPGDPDE5AVCAM1ARPELP1
SCHEMBL7358125 0.90 PDE5A (0.57) PDE4DPDE4APDE4BPDE4CHPGD
SCHEMBL29189681 0.89 VCAM1 (0.48) PDE4DPDE4APDE4BPDE4CHPGD
SCHEMBL15595474 0.82 PDE4D (0.70) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL17101115 0.82 ALDH1A1 (0.56) HPGDPDE5AVCAM1ALDH1A1KMT2A
SCHEMBL7427328 0.82 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CHPGD

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