SCHEMBL1662038

SCHEMBL1662038

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.64
CASP3 P42574 2/20 0.60
CASP7 P55210 1/20 0.60
TACR1 P25103 2/20 0.56
CASP1 P29466 2/20 0.55
CASP9 P55211 1/20 0.55
CTSB P07858 2/20 0.55
CTSS P25774 2/20 0.55
CTSK P43235 2/20 0.55
PTPN1 P18031 1/20 0.54
APC P25054 1/20 0.52
MME P08473 1/20 0.52
ECE1 P42892 1/20 0.52
TGM2 P21980 1/20 0.52

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
SCHEMBL1660344 1.00 CTSL (0.64) CTSLCASP3CASP7TACR1CASP1
SCHEMBL1661924 0.94 CTSL (0.71) CTSLTACR1CTSBCTSSCTSK
SCHEMBL1663171 0.94 CTSL (0.71) CTSLTACR1CTSBCTSSCTSK
SCHEMBL1661910 0.92 CTSL (0.65) CTSLCASP3CASP7TACR1CASP1
SCHEMBL1661176 0.92 CTSL (0.65) CTSLCASP3CASP7TACR1CASP1
SCHEMBL1661020 0.89 CTSL (0.53) CTSLCASP3CASP7TACR1CASP1
SCHEMBL6370513 0.88 CTSL (0.63) CTSLTACR1CASP1CTSBCTSS
SCHEMBL9862186 0.88 CASP3 (0.61) CTSLCASP3CASP7TACR1CASP1
SCHEMBL6378208 0.86 CTSL (0.72) CTSLTACR1CTSBCTSSCTSK
SCHEMBL21786578 0.86 PTPN1 (0.66) CTSLCTSBCTSSCTSKPTPN1

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