SCHEMBL6823331

SCHEMBL6823331

COc1ccc(S(=O)(=O)CCC(=O)NO)cc1OC.c1cc2ccc1-2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.63
POLB P06746 4/20 0.56
GRK2 P25098 3/20 0.56
PAX8 Q06710 1/20 0.52
PDE4A P27815 5/20 0.52
PDE4B Q07343 5/20 0.52
PDE4C Q08493 5/20 0.52
PDE4D Q08499 5/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
APAF1 O14727 2/20 0.51

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
SCHEMBL5602773 0.77 MMP1 (1.00) MMP1POLBGRK2CTDSP1ALDH1A1
SCHEMBL7031880 0.75 MAPK1 (0.59) POLBPAX8PDE4APDE4BPDE4C
SCHEMBL5809527 0.72 MAPK1 (0.59) POLBPAX8PDE4APDE4BPDE4C
SCHEMBL7029977 0.72 MAPK1 (0.59) POLBPAX8PDE4APDE4BPDE4C
SCHEMBL27571781 0.72 POLB (0.59) POLBGRK2L3MBTL1KMT2A
SCHEMBL7368200 0.72 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DHDAC3
SCHEMBL20892712 0.71 MAPK1 (0.68) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL2397437 0.71 POLB (0.58) POLBPAX8PDE4APDE4BPDE4C
SCHEMBL2397242 0.71 TSHR (0.58) POLBPAX8PDE4APDE4BPDE4C
SCHEMBL20314685 0.71 MAPK1 (0.58) POLBPAX8KMT2A

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