SCHEMBL7358705

SCHEMBL7358705

COC(=O)c1ccc(OC)c(OC2CCSC2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
PDE4B Q07343 12/20 0.51
PDE4D Q08499 10/20 0.49
PDE4A P27815 9/20 0.49
PDE4C Q08493 9/20 0.49
PDE5A O76074 1/20 0.49
CYP2D6 P10635 1/20 0.48
MAPK14 Q16539 1/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL7354727 0.88 CA12 (0.56) MAPTPDE4BPDE4DPDE4APDE4C
SCHEMBL5309884 0.82 PDE4D (0.67) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL16544967 0.79 MAPT (0.62) MAPTPDE4BPDE4DPDE4APDE4C
SCHEMBL18031253 0.79 MAPT (0.53) MAPTPDE4BPDE4DPDE4APDE4C
SCHEMBL70707 0.79 PDE4B (0.43) MAPTPDE4BPDE4DPDE4APDE4C
SCHEMBL7354406 0.79 PDE4D (0.76) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL31096050 0.77 PDE4B (0.53) PDE4BPDE4A
SCHEMBL16544973 0.77 MAPT (0.59) MAPTPDE4BPDE4DPDE4APDE4C
SCHEMBL21823664 0.77 PDE4B (0.53) PDE4BPDE4A
SCHEMBL7364684 0.77 PDE4D (0.60) MAPTPDE4BPDE4DPDE4APDE4C

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