SCHEMBL6823573

SCHEMBL6823573

O=C(CC(CCCCc1ccccc1)SCc1ccccc1)NO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.56
HDAC2 Q92769 6/20 0.56
ALOX5 P09917 1/20 0.56
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC3 O15379 2/20 0.51
HDAC5 Q9UQL6 1/20 0.51
MMP1 P03956 7/20 0.51
MMP3 P08254 6/20 0.51
MMP2 P08253 6/20 0.51
PDE4A P27815 3/20 0.51
PDE4B Q07343 3/20 0.51
PDE4C Q08493 3/20 0.51
PDE4D Q08499 3/20 0.51
MMP9 P14780 4/20 0.48
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
MMP14 P50281 3/20 0.45
MMP7 P09237 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
SCHEMBL6822907 0.84 HDAC1 (0.52) HDAC1HDAC2ALOX5HDAC8HDAC6
SCHEMBL6823533 0.78 SIRT5 (0.56) HDAC1HDAC2ALOX5HDAC8HDAC6
SCHEMBL6823664 0.76 MMP3 (0.62) MMP1MMP3MMP2PDE4APDE4B
SCHEMBL6823385 0.75 MMP2 (0.48) HDAC1HDAC2ALOX5HDAC8HDAC6
SCHEMBL6823172 0.75 MMP1 (0.79) HDAC1HDAC2ALOX5HDAC8HDAC6
SCHEMBL5020559 0.74 HDAC1 (0.96) HDAC1HDAC2ALOX5HDAC8HDAC6
SCHEMBL6819981 0.74 PDE4A (0.62) MMP1MMP3MMP2PDE4APDE4B
SCHEMBL6819771 0.73 PDE4A (0.63) HDAC1HDAC2ALOX5HDAC8HDAC6
SCHEMBL3844327 0.73 HDAC1 (1.00) HDAC1HDAC2ALOX5HDAC8HDAC6
SCHEMBL22190384 0.73 HDAC1 (1.00) HDAC1HDAC2ALOX5HDAC8HDAC6

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