SCHEMBL7301848

SCHEMBL7301848

CC(C)C[C@H](N)C(=O)NC(=O)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.46
MMP2 P08253 3/20 0.46
MMP8 P22894 3/20 0.46
SLC7A5 Q01650 1/20 0.40
DPP7 Q9UHL4 5/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP4 P27487 1/20 0.38
DPP9 Q86TI2 1/20 0.38
MMP3 P08254 2/20 0.38
GAA P10253 1/20 0.37
HTT P42858 2/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LARS1 Q9P2J5 1/20 0.36
ANPEP P15144 2/20 0.35
RNPEP Q9H4A4 2/20 0.35
DNPEP Q9ULA0 1/20 0.35

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
SCHEMBL7699813 0.80 GAA (0.41) MMP1MMP2MMP8SLC7A5DPP7
SCHEMBL1821347 0.79 DPP7 (0.44) DPP7DPP8DPP4DPP9GAA
SCHEMBL18774974 0.78 MMP1 (0.51) MMP1MMP2MMP8SLC7A5DPP7
SCHEMBL7700261 0.77 PPID (0.38) DPP7GAAHTTALOX15SMN1; SMN2
SCHEMBL7301853 0.77 L3MBTL1 (0.46) MMP1MMP2MMP8SLC7A5DPP7
Hydrochloric Acid SCHEMBL11181621 0.76 DPP7 (0.50) MMP1MMP2MMP8SLC7A5DPP7
SCHEMBL7817249 0.75 DPP7 (0.51) MMP1MMP2MMP8SLC7A5DPP7
SCHEMBL1707036 0.75 DPP7 (0.51) MMP1MMP2MMP8SLC7A5DPP7
SCHEMBL1707035 0.75 DPP7 (0.51) MMP1MMP2MMP8SLC7A5DPP7
SCHEMBL7694261 0.75 DPP7 (0.44) DPP7DPP8DPP4DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6103870-A INHIBITS BINDING BETWEEN VLA-4 RECEPTOR EXPRESSED ON INFLAMMATORY LEUKOCYTES AND FIBRONECTIN CS-1 PEPTIDE EXPRESSED ON ENDOTHELIAL CELLS; ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; TREATMENT OF ASTHMA CYTEL CORPORATION (US) 2000-08-15 US disclosed
EP-0737204-A4 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORP (US) 1999-06-23 EP disclosed
EP-0737204-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1996-10-16 EP disclosed
WO-1995015973-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1995-06-15 WO disclosed
US-5214056-A Thiol protease inhibitors JAPAN TOBACCO INC. (JP) 1993-05-25 US disclosed
EP-0460239-A1 1,3,2-DIOXATHIOLANE OXIDE DERIVATIVE Japan Tobacco Inc. (JP) 1991-12-11 EP disclosed