SCHEMBL28095430

SCHEMBL28095430

CCS(=O)(=O)NCC(N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PMP22 Q01453 1/20 0.42
SLC1A3 P43003 5/20 0.41
SLC1A2 P43004 5/20 0.41
SLC1A1 P43005 5/20 0.41
GCLC P48506 1/20 0.41
SLC7A5 Q01650 1/20 0.40
GFPT1 Q06210 1/20 0.40
GRIK1 P39086 5/20 0.38
GRIK2 Q13002 3/20 0.38
PTGS1 P23219 1/20 0.38
SLC7A11 Q9UPY5 1/20 0.38
GRIA4 P48058 2/20 0.37
GRIK3 Q13003 2/20 0.37
GRIK5 Q16478 2/20 0.37
CASR P41180 2/20 0.36
GRM8 O00222 1/20 0.35
GRM6 O15303 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GSR P00390 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
SCHEMBL1768513 1.00 PMP22 (0.42) PMP22SLC1A3SLC1A2SLC1A1GCLC
SCHEMBL1768945 0.82 SLC7A5 (0.45) PMP22SLC1A3SLC1A2SLC1A1GCLC
SCHEMBL27872394 0.82 SLC7A5 (0.45) PMP22SLC1A3SLC1A2SLC1A1GCLC
SCHEMBL8441116 0.81 PMP22 (0.48) PMP22SLC1A3SLC1A2SLC1A1GCLC
SCHEMBL31688971 0.81 PMP22 (0.48) PMP22SLC1A3SLC1A2SLC1A1GCLC
SCHEMBL8441119 0.81 PMP22 (0.48) PMP22SLC1A3SLC1A2SLC1A1GCLC
SCHEMBL13584739 0.80 PMP22 (0.48) PMP22SLC1A3SLC1A2SLC1A1GCLC
SCHEMBL27888845 0.80 PMP22 (0.48) PMP22SLC1A3SLC1A2SLC1A1GCLC
SCHEMBL1768843 0.78 PTGS1 (0.41) PMP22SLC1A3SLC1A2SLC1A1GCLC
SCHEMBL28961753 0.78 PTGS1 (0.41) PMP22SLC1A3SLC1A2SLC1A1SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 波利弗尔股份公司 2016-10-26 CN disclosed
CN-102712676-B There is the peptidomimetic that the template of CCR10 antagonistic activity is fixing 波利弗尔股份公司 2016-10-26 CN disclosed
CN-102844327-A Template-fixed peptidomimetics with CXCR7 modulatory activity POLYPHOR AG 2012-12-26 CN disclosed
CN-102712676-A Template-fixed peptidomimetics with CCR10 antagonistic activty POLYPHOR AG 2012-10-03 CN disclosed