SCHEMBL6825876

SCHEMBL6825876

COc1ccc(SC(CCc2ccccc2)CC(=O)NO)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.60
MMP3 P08254 7/20 0.60
PDE4A P27815 7/20 0.60
PDE4B Q07343 7/20 0.60
PDE4C Q08493 7/20 0.60
PDE4D Q08499 7/20 0.60
MMP1 P03956 5/20 0.60
MMP9 P14780 2/20 0.53
ALDH1A1 P00352 1/20 0.52
GAA P10253 2/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
MMP12 P39900 1/20 0.46
MMP14 P50281 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 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
SCHEMBL6823664 0.92 MMP3 (0.62) MMP2MMP3PDE4APDE4BPDE4C
SCHEMBL6823210 0.88 MMP1 (0.59) MMP2MMP3PDE4APDE4BPDE4C
SCHEMBL7302523 0.83 MMP1 (0.54) MMP2MMP3PDE4APDE4BPDE4C
SCHEMBL6819843 0.81 PDE4A (0.53) MMP2MMP3PDE4APDE4BPDE4C
SCHEMBL6823237 0.81 PDE4A (0.53) MMP2MMP3PDE4APDE4BPDE4C
SCHEMBL7362100 0.81 PDE4A (0.57) MMP2MMP3PDE4APDE4BPDE4C
SCHEMBL6823537 0.81 MMP1 (0.49) MMP2MMP3PDE4APDE4BPDE4C
SCHEMBL7063846 0.80 MMP1 (0.60) MMP2MMP3PDE4APDE4BPDE4C
SCHEMBL6822907 0.79 HDAC1 (0.52) MMP2MMP3PDE4APDE4BPDE4C
SCHEMBL6819981 0.78 PDE4A (0.62) MMP2MMP3PDE4APDE4BPDE4C

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 9 patents. 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
EP-0871439-A4 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE POULENC RORER PHARMA (US) 1999-07-21 EP claimed
EP-0871439-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-10-21 EP claimed
WO-1997024117-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-10 WO claimed
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