SCHEMBL1660926

SCHEMBL1660926

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.56
CTSB P07858 3/20 0.56
CTSS P25774 3/20 0.56
CTSK P43235 3/20 0.56
OPRK1 P41145 1/20 0.51
APC P25054 3/20 0.49
CASP1 P29466 1/20 0.48
CASP3 P42574 1/20 0.48
CASP9 P55211 1/20 0.48
BACE1 P56817 2/20 0.48
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
CAPN1 P07384 1/20 0.46

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
SCHEMBL1661011 0.89 ACE (0.48) BACE1
SCHEMBL1662059 0.89 CTSL (0.54) CTSLCTSBCTSSCTSKOPRK1
SCHEMBL1661910 0.85 CTSL (0.65) CTSLCTSBCTSSCTSKAPC
SCHEMBL1661176 0.85 CTSL (0.65) CTSLCTSBCTSSCTSKAPC
SCHEMBL1663148 0.84 APC (0.51) CTSLCTSBCTSSCTSKAPC
SCHEMBL1663151 0.83 CTSL (0.44) CTSLCTSBCTSSCTSKAPC
SCHEMBL1663171 0.81 CTSL (0.71) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL1661924 0.81 CTSL (0.71) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL1660344 0.81 CTSL (0.64) CTSLCTSBCTSSCTSKAPC
SCHEMBL1662038 0.81 CTSL (0.64) 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