SCHEMBL8442840

SCHEMBL8442840

N[C@@H](CNS(=O)(=O)C(F)(F)F)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.37
CA1 P00915 3/20 0.37
PMP22 Q01453 2/20 0.36
PTGS1 P23219 1/20 0.35
SLC7A11 Q9UPY5 1/20 0.35
EPHX1 P07099 1/20 0.35
CASR P41180 2/20 0.35
GFPT1 Q06210 1/20 0.34
GRIA4 P48058 2/20 0.33
GRB2 P62993 1/20 0.33
SLC7A5 Q01650 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GSR P00390 1/20 0.33
CYP1A2 P05177 1/20 0.33
GRIK1 P39086 1/20 0.33
GRM5 P41594 1/20 0.33
GRIA1 P42261 1/20 0.33

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
SCHEMBL8722447 1.00 CA2 (0.37) CA2CA1PMP22PTGS1SLC7A11
SCHEMBL1769061 0.81 PMP22 (0.40) PMP22PTGS1SLC7A11CASRGFPT1
SCHEMBL28095363 0.81 PMP22 (0.40) PMP22PTGS1SLC7A11CASRGFPT1
SCHEMBL1768824 0.78 SLC7A5 (0.35) PMP22PTGS1SLC7A11CASRGFPT1
SCHEMBL27888832 0.78 SLC7A5 (0.35) PMP22PTGS1SLC7A11CASRGFPT1
SCHEMBL1769806 0.77 PMP22 (0.33) PMP22PTGS1SLC7A11CASRGFPT1
SCHEMBL1769809 0.77 PMP22 (0.33) PMP22PTGS1SLC7A11CASRGFPT1
SCHEMBL1768840 0.75 PTGS1 (0.41) PMP22PTGS1SLC7A11CASRGFPT1
SCHEMBL1768843 0.75 PTGS1 (0.41) PMP22PTGS1SLC7A11CASRGFPT1
SCHEMBL1823399 0.75 PTGS1 (0.41) PMP22PTGS1SLC7A11CASRGFPT1

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
EP-0896003-A1 Peptides for reducing or inhibiting bone resorption, angiogenesis and restenosis LA JOLLA CANCER RESEARCH FOUNDATION (US) 1999-02-10 EP disclosed
WO-1998016256-A1 MAGNETIC RESONANCE IMAGING OF THROMBI THE BURNHAM INSTITUTE (US) 1998-04-23 WO disclosed
EP-0755408-A1 PEPTIDES FOR REDUCING OR INHIBITING BONE RESORPTION, ANGIOGENESIS AND RESTENOSIS LA JOLLA CANCER RESEARCH FOUNDATION (US) 1997-01-29 EP disclosed
WO-1995028426-A2 PEPTIDES FOR REDUCING OR INHIBITING BONE RESORPTION, ANGIOGENESIS AND RESTENOSIS LA JOLLA CANCER RESEARCH FOUNDATION (US) 1995-10-26 WO disclosed