SCHEMBL6825752

SCHEMBL6825752

COc1ccc(S[C@H](CCCCc2ccccc2)[C@H](CO)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.45
MMP1 P03956 4/20 0.45
MMP2 P08253 4/20 0.45
PDE4A P27815 4/20 0.45
PDE4B Q07343 4/20 0.45
PDE4C Q08493 4/20 0.45
PDE4D Q08499 4/20 0.45
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
ALOX5 P09917 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL6825751 1.00 MMP3 (0.45) MMP3MMP1MMP2PDE4APDE4B
SCHEMBL6823429 0.90 MMP1 (0.44) MMP3MMP1MMP2PDE4APDE4B
SCHEMBL6823122 0.86 MMP3 (0.51) MMP3MMP1MMP2PDE4APDE4B
SCHEMBL6819936 0.84 MMP3 (0.45) MMP3MMP1MMP2PDE4APDE4B
SCHEMBL6922474 0.82 MMP1 (0.52) MMP3MMP1MMP2PDE4APDE4B
SCHEMBL10419271 0.81 PPARG (0.56) MMP3MMP1MMP2PDE4APDE4B
SCHEMBL6819804 0.80 MMP3 (0.63) MMP3MMP1MMP2PDE4APDE4B
SCHEMBL7075534 0.78 PPARG (0.58) MMP3MMP1MMP2PDE4APDE4B
SCHEMBL6825756 0.78 ATM (0.51) MMP3MMP1MMP2PDE4APDE4B
SCHEMBL6823247 0.78 ATM (0.51) MMP3MMP1MMP2PDE4APDE4B

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