SCHEMBL6822889

SCHEMBL6822889

C=CCC(C(=O)OC)C(O)CCCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
TRPA1 O75762 1/20 0.41
PDE4A P27815 4/20 0.41
PDE4B Q07343 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
MMP1 P03956 3/20 0.41
MMP2 P08253 3/20 0.41
MMP3 P08254 3/20 0.41
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CTSK P43235 1/20 0.40
ALOX5 P09917 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CES1 P23141 1/20 0.39

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
SCHEMBL16201781 0.91 TSHR (0.41) MMP2MMP3MAPT
SCHEMBL16201772 0.91 TSHR (0.41) MMP2MMP3MAPT
SCHEMBL1114734 0.81 MAPT (0.40) MAPT
SCHEMBL1975707 0.81 MAPT (0.40) MAPT
SCHEMBL16201797 0.81 FAAH (0.40) FAAHMAPT
SCHEMBL16201801 0.79 GRIK1 (0.43) FAAHTRPA1MMP2MMP3MAPT
SCHEMBL16201821 0.79 GRIK1 (0.43) FAAHTRPA1MMP2MMP3MAPT
SCHEMBL8089064 0.78 FAAH (0.51) FAAHTRPA1MAPTRXFP1ALOX5
SCHEMBL7326178 0.77 KMT2A (0.48) FAAHPDE4APDE4BPDE4CPDE4D
SCHEMBL864449 0.76 FAAH (0.54) FAAHTRPA1MAPTRXFP1ALOX5

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