SCHEMBL1663148

SCHEMBL1663148

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APC P25054 3/20 0.51
CASP1 P29466 1/20 0.48
CASP3 P42574 1/20 0.48
CASP9 P55211 1/20 0.48
CTSL P07711 2/20 0.47
ACE P12821 1/20 0.46
AVPR1A P37288 1/20 0.46
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.44
ERAP2 Q6P179 2/20 0.43
ERAP1 Q9NZ08 1/20 0.43
LNPEP Q9UIQ6 1/20 0.43
BACE1 P56817 1/20 0.43
BACE2 Q9Y5Z0 1/20 0.43
IL1RN P18510 1/20 0.43
FOLH1 Q04609 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
SCHEMBL1663151 0.90 CTSL (0.44) APCCASP1CASP3CASP9CTSL
SCHEMBL1661229 0.90 ACE (0.51) ACEAVPR1ANAALAD2BACE1BACE2
SCHEMBL19252727 0.87 FOLH1 (0.47) APCCASP1CASP3CASP9CTSL
SCHEMBL1661910 0.84 CTSL (0.65) APCCASP1CASP3CASP9CTSL
SCHEMBL1661176 0.84 CTSL (0.65) APCCASP1CASP3CASP9CTSL
SCHEMBL1660926 0.84 CTSL (0.56) APCCASP1CASP3CASP9CTSL
SCHEMBL1662059 0.83 CTSL (0.54) APCCASP1CASP3CASP9CTSL
SCHEMBL1661011 0.79 ACE (0.48) ACEAVPR1AERAP2ERAP1LNPEP
SCHEMBL1661066 0.79 AVPR1A (0.44) ACEAVPR1ANAALAD2
SCHEMBL1662080 0.79 BACE1 (0.49) AVPR1ANAALAD2BACE1BACE2

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