SCHEMBL7985943

SCHEMBL7985943

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1C(=O)C2C=CC1C2

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.64
PDE4B Q07343 14/20 0.64
PDE4A P27815 11/20 0.64
PDE4C Q08493 11/20 0.64
CYP2B6 P20813 1/20 0.54
ABCB11 O95342 1/20 0.44
GFER P55789 1/20 0.42

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
SCHEMBL7542303 0.84 GFER (0.48) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL7110388 0.83 PDE4D (0.64) PDE4DPDE4BPDE4APDE4C
SCHEMBL7361851 0.81 PDE4D (0.68) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL15270505 0.79 PDE4D (1.00) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7431497 0.79 CA12 (0.52) PDE4DPDE4BPDE4APDE4C
SCHEMBL70770 0.78 PDE4D (0.80) PDE4DPDE4BPDE4APDE4CCYP2B6
Piclamilast SCHEMBL26573 0.78 PDE4D (1.00) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7335658 0.78 PDE4D (0.79) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7338627 0.78 PDE4D (0.79) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7338639 0.78 PDE4D (0.79) PDE4DPDE4BPDE4APDE4CCYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0652868-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1995-05-17 EP claimed
WO-1994002465-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1994-02-03 WO claimed
US-6255326-B1 ANTIINFLAMMATORY AGENT; AUTOIMMUNE DISEASES AVENTIS PHARMA LIMITED (GB) 2001-07-03 US disclosed
US-6096768-A ADMINISTERING A 3, 5, 6-SUBSTITUTED PHENYL COMPOUND FOR THE TREATMENT OF INFLAMMATION AND AUTOIMMUNE DISORDERS RHONE-POULENC RORER LIMITED (GB) 2000-08-01 US disclosed
EP-0652868-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1995-05-17 EP disclosed
WO-1994002465-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1994-02-03 WO disclosed