SCHEMBL5697538

SCHEMBL5697538

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 9/20 0.49
CASP1 P29466 7/20 0.48
CASP7 P55210 4/20 0.48
CASP9 P55211 4/20 0.48
CASP4 P49662 3/20 0.45
CASP8 Q14790 2/20 0.45
CASP10 Q92851 2/20 0.45
CASP5 P51878 1/20 0.45
CASP6 P55212 1/20 0.45
CTSB P07858 2/20 0.43
CTSK P43235 2/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
SIRT1 Q96EB6 2/20 0.42
ELANE P08246 1/20 0.42
REN P00797 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42

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
SCHEMBL5697536 0.90 CASP3 (0.61) CASP3CASP1CASP7CASP9CASP4
SCHEMBL5697520 0.88 CASP3 (0.57) CASP3CASP1CASP7CASP9CASP4
SCHEMBL28840715 0.83 CASP3 (0.55) CASP3CASP1CASP7CASP9CASP4
SCHEMBL811863 0.83 CASP3 (0.55) CASP3CASP1CASP7CASP9CASP4
SCHEMBL1264575 0.81 CASP3 (0.55) CASP3CASP1CASP7CASP9CASP4
SCHEMBL614741 0.80 CASP3 (0.62) CASP3CASP1CASP7CASP9CASP4
SCHEMBL3140616 0.80 CASP3 (0.62) CASP3CASP1CASP7CASP9CASP4
SCHEMBL7622852 0.80 CASP3 (0.48) CASP3CASP1CASP7CASP9CASP4
SCHEMBL29409608 0.80 CASP3 (0.55) CASP3CASP1CASP7CASP9CASP4
SCHEMBL14070409 0.80 CASP3 (0.56) CASP3CASP1CASP7CASP9CASP4

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
EP-2214665-B1 Compound Q-VD-OPh for use in the treatment of a viral infection PASTEUR INSTITUT (FR) 2018-07-11 EP disclosed
EP-1313855-B1 TRUNCATED BARD1 PROTEIN, AND ITS DIAGNOSTIC AND THERAPEUTIC USES INST NAT SANTE RECH MED (FR) 2006-05-31 EP disclosed
EP-1313855-A2 TRUNCATED BARD1 PROTEIN, AND ITS DIAGNOSTIC AND THERAPEUTIC USES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2003-05-28 EP disclosed
EP-1203076-A1 METHOD FOR IN VITRO CULTURE OF VIRUSES OF THE TOGAVIRIDAE AND FLAVIVIRIDAE FAMILY AND USES BIO MERIEUX (FR) 2002-05-08 EP disclosed
WO-2002018536-A2 TRUNCATED BARD1 PROTEIN, AND ITS DIAGNOSTIC AND THERAPEUTIC USES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-03-07 WO disclosed
WO-2001009289-A1 METHOD FOR IN VITRO CULTURE OF VIRUSES OF THE TOGAVIRIDAE AND FLAVIVIRIDAE FAMILY AND USES BIO MERIEUX (FR) 2001-02-08 WO disclosed