SCHEMBL1663151

SCHEMBL1663151

CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
APC P25054 3/20 0.43
FOLH1 Q04609 1/20 0.43
AVPR1A P37288 1/20 0.42
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CASP9 P55211 1/20 0.42
CCKAR P32238 4/20 0.42
MME P08473 1/20 0.41
ECE1 P42892 1/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.41
ABCB1 P08183 1/20 0.41
NMUR2 Q9GZQ4 1/20 0.41
NMUR1 Q9HB89 1/20 0.41
TACR3 P29371 2/20 0.41
CCKBR P32239 3/20 0.41
BACE1 P56817 1/20 0.40

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
SCHEMBL19252727 0.94 FOLH1 (0.47) CTSLCTSBCTSSCTSKAPC
SCHEMBL1663148 0.90 APC (0.51) CTSLCTSBCTSSCTSKAPC
SCHEMBL1661066 0.90 AVPR1A (0.44) AVPR1ACCKARNAALAD2NMUR2NMUR1
SCHEMBL1662059 0.89 CTSL (0.54) CTSLCTSBCTSSCTSKAPC
SCHEMBL1662080 0.85 BACE1 (0.49) AVPR1ACCKARNAALAD2NMUR2NMUR1
SCHEMBL1660926 0.83 CTSL (0.56) CTSLCTSBCTSSCTSKAPC
SCHEMBL1661229 0.79 ACE (0.51) AVPR1ANAALAD2BACE1
SCHEMBL1661011 0.79 ACE (0.48) AVPR1ANMUR2NMUR1TACR3BACE1
SCHEMBL1661328 0.78 NPY4R (0.37) CTSLCTSBCTSSCTSKCCKAR
SCHEMBL13731613 0.77 NAALAD2 (0.40) CTSLCTSBCTSSCTSKAPC

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
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO claimed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO disclosed