SCHEMBL1663171

SCHEMBL1663171

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

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.71
TACR1 P25103 2/20 0.61
CTSB P07858 4/20 0.60
CTSS P25774 2/20 0.60
CTSK P43235 2/20 0.60
MME P08473 1/20 0.56
ECE1 P42892 1/20 0.56
TGM2 P21980 1/20 0.56
CAPN1 P07384 1/20 0.55

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
SCHEMBL1661924 1.00 CTSL (0.71) CTSLTACR1CTSBCTSSCTSK
SCHEMBL1662038 0.94 CTSL (0.64) CTSLTACR1CTSBCTSSCTSK
SCHEMBL1660344 0.94 CTSL (0.64) CTSLTACR1CTSBCTSSCTSK
SCHEMBL6370513 0.93 CTSL (0.63) CTSLTACR1CTSBCTSSCTSK
SCHEMBL1661910 0.92 CTSL (0.65) CTSLTACR1CTSBCTSSCTSK
SCHEMBL1661176 0.92 CTSL (0.65) CTSLTACR1CTSBCTSSCTSK
SCHEMBL6378208 0.91 CTSL (0.72) CTSLTACR1CTSBCTSSCTSK
SCHEMBL21786578 0.91 PTPN1 (0.66) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL1661314 0.91 CTSL (0.68) CTSLTACR1CTSBCTSSCTSK
SCHEMBL20678118 0.90 MME (0.67) CTSLTACR1CTSBCTSSCTSK

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