SCHEMBL3692638

SCHEMBL3692638

CC(=O)F.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 12/20 0.58
CASP1 P29466 7/20 0.55
CASP7 P55210 7/20 0.54
CASP9 P55211 4/20 0.54
MME P08473 1/20 0.52
ECE1 P42892 1/20 0.52
CASP4 P49662 3/20 0.51
CASP8 Q14790 3/20 0.50
CASP10 Q92851 2/20 0.50
ELANE P08246 1/20 0.49
REN P00797 1/20 0.49
CASP6 P55212 2/20 0.48
CASP5 P51878 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
SCHEMBL7112627 1.00 CASP3 (0.58) CASP3CASP1CASP7CASP9MME
SCHEMBL614741 0.96 CASP3 (0.62) CASP3CASP1CASP7CASP9MME
SCHEMBL3140616 0.96 CASP3 (0.62) CASP3CASP1CASP7CASP9MME
SCHEMBL17803368 0.93 CASP3 (0.55) CASP3CASP1CASP7CASP9CASP4
SCHEMBL3692630 0.92 CASP3 (0.56) CASP3CASP1CASP7CASP9MME
SCHEMBL4420464 0.92 CASP3 (0.67) CASP3CASP1CASP7CASP9MME
SCHEMBL7383742 0.92 CASP3 (0.67) CASP3CASP1CASP7CASP9MME
SCHEMBL18740358 0.91 CASP3 (0.58) CASP3CASP1CASP7CASP9CASP4
SCHEMBL3488773 0.89 CASP1 (0.71) CASP3CASP1CASP7CASP9REN
SCHEMBL29453232 0.88 MME (0.58) CASP3CASP1MMEECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120207730-A1 Methods and Compositions for Treating Viral Hemorrhagic Fever NATIONAL TAIWAN UNIVERSITY (TW) 2012-08-16 US disclosed
US-20100080807-A1 Methods and Compositions for Treating Viral Hemorrhagic Fever NATIONAL TAIWAN UNIVERSITY (TW) 2010-04-01 US disclosed