SCHEMBL6819932

SCHEMBL6819932

COC(=O)C(C)(C)C(CCCCc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.63
PDE4B Q07343 13/20 0.63
PDE4C Q08493 13/20 0.63
PDE4D Q08499 13/20 0.63
MMP1 P03956 4/20 0.46
MMP2 P08253 4/20 0.46
MMP3 P08254 4/20 0.46
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 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
SCHEMBL6823517 0.92 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DMMP1
SCHEMBL6822908 0.90 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DMMP1
SCHEMBL6819821 0.86 MMP1 (0.61) PDE4APDE4BPDE4CPDE4DMMP1
SCHEMBL6823690 0.81 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DMMP1
SCHEMBL6822891 0.81 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DMMP1
SCHEMBL6819918 0.79 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DMMP1
SCHEMBL6822987 0.78 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DMMP1
SCHEMBL6823027 0.78 MMP1 (0.62) PDE4APDE4BPDE4CPDE4DMMP1
SCHEMBL6823397 0.77 MMP1 (0.60) PDE4APDE4BPDE4CPDE4DMMP1
SCHEMBL5702910 0.77 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871439-B1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS AVENTIS PHARMA INC (US) 2004-03-31 EP disclosed
US-6057369-A USE IN THE TREATMENT OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY WHICH ARE CAPABLE OF BEING MODULATED BY INHIBITING A MATRIX METALLOPROTEINASE (MMP), TUMOR NECROSIS FACTOR (TNF) OR CYCLIC AMP RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-05-02 US disclosed
EP-0871439-A4 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE POULENC RORER PHARMA (US) 1999-07-21 EP disclosed
EP-0871439-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-10-21 EP disclosed
WO-1997024117-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-10 WO disclosed