SCHEMBL5697520

SCHEMBL5697520

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 11/20 0.57
CASP1 P29466 6/20 0.57
CASP9 P55211 5/20 0.57
CASP4 P49662 4/20 0.57
CASP8 Q14790 3/20 0.57
CASP10 Q92851 3/20 0.57
CASP5 P51878 2/20 0.57
CASP6 P55212 2/20 0.57
CASP7 P55210 5/20 0.55
CTSB P07858 5/20 0.46
CTSK P43235 4/20 0.46
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
PSMB5 P28074 1/20 0.43

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 0.95 CASP3 (0.61) CASP3CASP1CASP9CASP4CASP8
SCHEMBL5697538 0.88 CASP3 (0.49) CASP3CASP1CASP9CASP4CASP8
SCHEMBL3317466 0.87 CASP3 (0.62) CASP3CASP1CASP9CASP4CASP8
SCHEMBL2038060 0.82 CASP3 (0.63) CASP3CASP1CASP9CASP4CASP8
SCHEMBL31248472 0.81 CASP3 (0.63) CASP3CASP1CASP9CASP4CASP8
SCHEMBL2744395 0.80 CASP3 (0.68) CASP3CASP1CASP9CASP4CASP8
SCHEMBL30541131 0.79 CASP3 (0.61) CASP3CASP1CASP9CASP4CASP8
SCHEMBL3490826 0.78 CASP3 (0.73) CASP3CASP1CASP9CASP4CASP8
SCHEMBL23613622 0.78 CASP3 (0.56) CASP3CASP1CASP9CASP4CASP8
SCHEMBL20257276 0.78 CASP3 (0.60) CASP3CASP1CASP9CASP4CASP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313855-B1 TRUNCATED BARD1 PROTEIN, AND ITS DIAGNOSTIC AND THERAPEUTIC USES INST NAT SANTE RECH MED (FR) 2006-05-31 EP disclosed