SCHEMBL4394017

SCHEMBL4394017

CNC(C)C(=O)NC(C(=O)N1Cc2ccccc2CC1C(=O)O)C(C)C.NC(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XIAP P98170 13/20 0.56
ACE P12821 6/20 0.52
ABCB11 O95342 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
SCHEMBL15569217 0.91 XIAP (0.61) XIAPACE
SCHEMBL3728963 0.91 XIAP (0.61) XIAPACE
SCHEMBL4394011 0.86 XIAP (0.60) XIAP
SCHEMBL3726378 0.79 XIAP (0.58) XIAP
SCHEMBL3722425 0.78 XIAP (0.56) XIAP
SCHEMBL7806754 0.76 ACE (0.59) ACEABCB11
SCHEMBL27431476 0.76 HDAC8 (0.63) ACE
SCHEMBL27726217 0.76 HDAC8 (0.63) ACE
SCHEMBL9409964 0.76 FNTA (0.60)
SCHEMBL9409972 0.76 FNTA (0.60)

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
EP-1773348-A4 TETRAPEPTIDE ANALOGS IDUN PHARMACEUTICALS INC (US) 2009-05-20 EP claimed
EP-1773348-A2 TETRAPEPTIDE ANALOGS Idun Pharmaceuticals, Inc. (US) 2007-04-18 EP claimed
WO-2006017295-A2 TETRAPEPTIDE ANALOGS IDUN PHARMACEUTICALS, INC. (US) 2006-02-16 WO claimed