SCHEMBL4952116

SCHEMBL4952116

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(=O)O)C(=O)C(=O)CF

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 13/20 0.60
CASP7 P55210 8/20 0.55
CASP1 P29466 5/20 0.55
CASP9 P55211 5/20 0.55
CASP8 Q14790 3/20 0.52
CASP6 P55212 2/20 0.52
CASP4 P49662 3/20 0.52
CASP10 Q92851 3/20 0.51
CA2 P00918 1/20 0.50
CA5A P35218 1/20 0.50
CTSL P07711 1/20 0.50
CTSS P25774 1/20 0.50
CASP5 P51878 1/20 0.49
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48

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
SCHEMBL2033191 0.96 CASP3 (0.56) CASP3CASP7CASP1CASP9CASP8
SCHEMBL713780 0.96 CASP3 (0.56) CASP3CASP7CASP1CASP9CASP8
SCHEMBL2043662 0.93 CASP3 (0.56) CASP3CASP7CASP1CASP9CASP8
SCHEMBL2038936 0.91 CASP3 (0.69) CASP3CASP7CASP1CASP9CASP8
SCHEMBL29384302 0.89 CASP3 (0.60) CASP3CASP7CASP1CASP9CASP8
SCHEMBL26071633 0.89 CASP3 (0.60) CASP3CASP7CASP1CASP9CASP8
SCHEMBL4466395 0.89 CASP3 (0.60) CASP3CASP7CASP1CASP9CASP8
SCHEMBL15939366 0.88 CASP3 (0.64) CASP3CASP7CASP1CASP9CASP8
SCHEMBL2038060 0.88 CASP3 (0.63) CASP3CASP7CASP1CASP9CASP8
SCHEMBL4461379 0.87 CASP3 (0.64) CASP3CASP7CASP1CASP9CASP8

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
US-20080311036-A1 Imaging of Neural and Organ Injury or Damage UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2008-12-18 US claimed
WO-2006122237-A2 IMAGING OF NEURAL AND ORGAN INJURY OR DAMAGE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2006-11-16 WO claimed
US-20080311036-A1 Imaging of Neural and Organ Injury or Damage UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2008-12-18 US disclosed
WO-2006122237-A2 IMAGING OF NEURAL AND ORGAN INJURY OR DAMAGE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2006-11-16 WO disclosed