SCHEMBL9328839

SCHEMBL9328839

CCCCCCCCC(CC(CC(=O)O)c1ccccc1)NO

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CERT1 Q9Y5P4 3/20 0.45
GABBR2 O75899 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
MMP2 P08253 10/20 0.44
MMP9 P14780 3/20 0.44
MMP1 P03956 3/20 0.44
MMP3 P08254 3/20 0.44
MMP14 P50281 1/20 0.44
MAPT P10636 1/20 0.44
NAAA Q02083 2/20 0.43
MMP12 P39900 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 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
SCHEMBL3242852 0.86 GABBR2 (0.54) GABBR2GABBR1MMP2MMP9MMP1
SCHEMBL4403980 0.86 GABBR2 (0.54) GABBR2GABBR1MMP2MMP9MMP1
SCHEMBL27688433 0.86 GABBR2 (0.54) GABBR2GABBR1MMP2MMP9MMP1
SCHEMBL7663044 0.84 GABBR2 (0.56) GABBR2GABBR1MMP2MMP9MAPT
SCHEMBL2289954 0.80 GABBR2 (0.58) GABBR2GABBR1MMP2MMP9MAPT
Bicarbonate SCHEMBL10711244 0.78 NAAA (0.49) CERT1NAAACYSLTR2CYSLTR1
Malonic Acid SCHEMBL28316448 0.76 NAAA (0.48) CERT1MMP2MMP9MMP1MMP3
SCHEMBL14359785 0.76 GABBR2 (0.66) GABBR2GABBR1MAPT
SCHEMBL8846325 0.76 CYSLTR2 (0.63) CYSLTR2CYSLTR1
SCHEMBL10354176 0.76 CYSLTR2 (0.59) CYSLTR2CYSLTR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292884-A Cyclic hydroxamic acids BIOMIDE INVESTMENT LIMITED PARTNERSHIP (US) 1994-03-08 US disclosed
US-5234933-A Antiflammatory agents, enzyme inhibitors BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY AND VANDERBILT UNIVERSITY (US) 1993-08-10 US disclosed
WO-1993008803-A1 CYCLIC HYDROXAMIC ACIDS BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1993-05-13 WO disclosed