SCHEMBL3317466

SCHEMBL3317466

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)C(F)C(=O)C(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 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 11/20 0.62
CASP1 P29466 6/20 0.62
CASP9 P55211 6/20 0.62
CASP4 P49662 4/20 0.62
CASP10 Q92851 4/20 0.62
CASP8 Q14790 3/20 0.62
CASP5 P51878 2/20 0.62
CASP6 P55212 2/20 0.62
CASP7 P55210 6/20 0.60
CTSB P07858 5/20 0.51
CTSK P43235 4/20 0.51
CTSL P07711 1/20 0.50
CTSS P25774 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL2744395 0.93 CASP3 (0.68) CASP3CASP1CASP9CASP4CASP10
SCHEMBL2038060 0.88 CASP3 (0.63) CASP3CASP1CASP9CASP4CASP10
SCHEMBL20543505 0.88 CASP3 (0.58) CASP3CASP1CASP9CASP4CASP10
SCHEMBL5697520 0.87 CASP3 (0.57) CASP3CASP1CASP9CASP4CASP10
SCHEMBL31248472 0.87 CASP3 (0.63) CASP3CASP1CASP9CASP4CASP10
SCHEMBL30541131 0.84 CASP3 (0.61) CASP3CASP1CASP9CASP4CASP10
SCHEMBL811863 0.84 CASP3 (0.55) CASP3CASP1CASP9CASP4CASP10
SCHEMBL28840715 0.84 CASP3 (0.55) CASP3CASP1CASP9CASP4CASP10
SCHEMBL3490826 0.84 CASP3 (0.73) CASP3CASP1CASP9CASP4CASP10
SCHEMBL23613622 0.83 CASP3 (0.56) CASP3CASP1CASP9CASP4CASP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016228-A1 TRUNCATED BARD1 PROTEIN, AND ITS DIAGNOSTIC AND THERAPEUTIC USES AYANDA BIOSYSTEMS SA (CH) 2010-01-21 US disclosed
US-7566764-B2 Truncated BARD1 protein, and its diagnostic and therapeutic uses AYANDA BIOSYSTEMS SA (CH) 2009-07-28 US disclosed
US-20040234959-A1 Truncated bard1 protein, and its diagnostic and therapeutic uses EUROGOLD LIMITED (AU) 2004-11-25 US disclosed