SCHEMBL6823027

SCHEMBL6823027

COc1ccc(S(=O)(=O)C(CCCCc2ccccc2)C(C)(C)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.62
MMP3 P08254 9/20 0.62
PDE4A P27815 8/20 0.62
PDE4B Q07343 8/20 0.62
PDE4C Q08493 8/20 0.62
PDE4D Q08499 8/20 0.62
MMP2 P08253 8/20 0.62
MMP13 P45452 4/20 0.48
MMP9 P14780 2/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
BMP1 P13497 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6819821 0.91 MMP1 (0.61) MMP1MMP3PDE4APDE4BPDE4C
SCHEMBL6823341 0.90 MMP1 (0.61) MMP1MMP3PDE4APDE4BPDE4C
SCHEMBL6823100 0.89 MMP1 (0.65) MMP1MMP3PDE4APDE4BPDE4C
SCHEMBL6823397 0.86 MMP1 (0.60) MMP1MMP3PDE4APDE4BPDE4C
SCHEMBL6823517 0.86 PDE4A (0.63) MMP1MMP3PDE4APDE4BPDE4C
SCHEMBL6822832 0.84 MMP1 (0.64) MMP1MMP3PDE4APDE4BPDE4C
SCHEMBL10419954 0.80 MMP1 (0.64) MMP1MMP3PDE4APDE4BPDE4C
SCHEMBL6819932 0.78 PDE4A (0.63) MMP1MMP3PDE4APDE4BPDE4C
SCHEMBL9246091 0.77 MMP1 (1.00) MMP1MMP3PDE4APDE4BPDE4C
SCHEMBL13350334 0.77 MMP1 (1.00) MMP1MMP3PDE4APDE4BPDE4C

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