SCHEMBL8224640

SCHEMBL8224640

COc1ccc(S(=O)(=O)[C@@H](CCCC(=O)ON)C(C)C)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.45
PDE4B Q07343 10/20 0.45
PDE4C Q08493 10/20 0.45
PDE4D Q08499 10/20 0.45
KMT2A Q03164 3/20 0.43
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
PAX8 Q06710 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
PKM P14618 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
Hydroxyamine SCHEMBL8224639 0.87 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7368200 0.84 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7368204 0.79 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL27624819 0.76 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DKMT2A
Hydroxyamine SCHEMBL8224643 0.74 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL8224470 0.74 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL8212188 0.73 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL5702905 0.73 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DKMT2A
Hydroxyamine SCHEMBL8212182 0.70 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL5809534 0.69 MAPK1 (0.61) PDE4APDE4BPDE4CPDE4DKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed