SCHEMBL7359015

SCHEMBL7359015

CSc1ccc(C(=O)OC2CCCC2)cc1OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.44
PDE4D Q08499 6/20 0.44
PDE4A P27815 5/20 0.44
PDE4C Q08493 5/20 0.44
CYP2D6 P10635 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
STS P08842 4/20 0.43
MAPK14 Q16539 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
JMJD6 Q6NYC1 1/20 0.42
FPR2 P25090 1/20 0.41

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
SCHEMBL7352753 0.89 PDE5A (0.48) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7356892 0.86 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7355954 0.85 PDE4D (0.43) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL8888177 0.80 CYP2D6 (0.61) PDE4BPDE4DPDE4APDE4CCYP2D6
SCHEMBL7360845 0.78 PDE4D (0.50) PDE4BPDE4DPDE4APDE4C
SCHEMBL2563365 0.76 KMT2A (0.47) PDE4BPDE4DPDE4APDE4CCYP2D6
SCHEMBL7361371 0.75 PDE4D (0.49) PDE4BPDE4DPDE4APDE4C
SCHEMBL7353109 0.75 PDE5A (0.50) PDE4BPDE4DPDE4APDE4CCYP2D6
SCHEMBL6865421 0.74 NPY1R (0.47) PDE4DPDE4ASMN1; SMN2KMT2ALMNA
SCHEMBL31096224 0.74 NPY1R (0.47) PDE4DPDE4ASMN1; SMN2KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP 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
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
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