SCHEMBL1661910

SCHEMBL1661910

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

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.65
APC P25054 3/20 0.60
CASP3 P42574 2/20 0.60
CASP1 P29466 1/20 0.60
CASP9 P55211 1/20 0.60
TACR1 P25103 2/20 0.54
CTSB P07858 2/20 0.53
CTSS P25774 2/20 0.53
CTSK P43235 2/20 0.53
MME P08473 2/20 0.52
ECE1 P42892 2/20 0.52
CASP7 P55210 1/20 0.52
PTPN1 P18031 1/20 0.51

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
SCHEMBL1661176 1.00 CTSL (0.65) CTSLAPCCASP3CASP1CASP9
SCHEMBL1661924 0.92 CTSL (0.71) CTSLTACR1CTSBCTSSCTSK
SCHEMBL1663171 0.92 CTSL (0.71) CTSLTACR1CTSBCTSSCTSK
SCHEMBL1662038 0.92 CTSL (0.64) CTSLAPCCASP3CASP1CASP9
SCHEMBL1660344 0.92 CTSL (0.64) CTSLAPCCASP3CASP1CASP9
SCHEMBL13589992 0.90 ECE1 (0.63) CTSLCASP3CASP1CASP9TACR1
SCHEMBL14778231 0.90 MME (0.63) CTSLCASP3CASP1CASP9TACR1
SCHEMBL2873941 0.90 MME (0.63) CTSLCASP3CASP1CASP9TACR1
SCHEMBL14433746 0.90 ECE1 (0.63) CTSLCASP3CASP1CASP9TACR1
SCHEMBL6552944 0.90 ECE1 (0.63) CTSLCASP3CASP1CASP9TACR1

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