SCHEMBL7441908

SCHEMBL7441908

COc1ccc([CH]c2c(Cl)cccc2Cl)cc1OC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.54
PDE4D Q08499 7/20 0.54
PDE4A P27815 5/20 0.54
PDE4C Q08493 4/20 0.54
PDE3A Q14432 1/20 0.47
POLB P06746 1/20 0.45

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
SCHEMBL70933 0.89 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL70934 0.89 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL4637156 0.78 ALDH1A1 (0.62) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL8482644 0.77 PDE4A (0.60) PDE4BPDE4DPDE4APDE4C
SCHEMBL8483751 0.77 PDE4B (0.49) PDE4BPDE4DPDE4APDE4C
SCHEMBL8483747 0.77 PDE4B (0.49) PDE4BPDE4DPDE4APDE4C
SCHEMBL1388370 0.77 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL1074318 0.77 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL1388372 0.77 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL31619157 0.76 PDE4B (0.57) PDE4BPDE4DPDE4APDE4CPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5935978-A Compounds containing phenyl linked to aryl or heteroaryl by an aliphatic- or heteroatom-containing linking group RHONE-POULENC RORER LIMITED (GB) 1999-08-10 US disclosed
US-5840724-A COMPOUNDS FOR TUMOR NECROSIS FACTOR OR ENZYME INHIBITORS OF PHOSPHODIESTERASES RHONE-POULENC RORER LIMITED (GB) 1998-11-24 US disclosed
US-5698711-A INHIBITORS OF TUMOR NECROSIS FACTOR, CYCLIC ADENOSINE-3*,5*-MONOPHOSPHATE PHOSPHODIESTERASE AND EOSINOPHILS RHONE-POULENC RORER LIMITED (GB) 1997-12-16 US disclosed
US-5679696-A FOR INHIBITING TUMOR NECROSIS FACTOR; ENZYME INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1997-10-21 US disclosed