SCHEMBL16855193

SCHEMBL16855193

NCC(CN)NC(=O)C(Cc1ccccc1)NC(=O)CC(N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALPI P09923 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ XIAP P98170 1/20 0.49
▸ SLC7A5 Q01650 1/20 0.49
▸ PSMB5 P28074 1/20 0.48
▸ ACE P12821 3/20 0.47
▸ SLC1A3 P43003 3/20 0.47
▸ SLC1A2 P43004 3/20 0.47
▸ SLC1A1 P43005 3/20 0.47
▸ ECE1 P42892 1/20 0.45
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CTSD P07339 1/20 0.44
▸ MME P08473 1/20 0.44

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
SCHEMBL16855058 1.00 ALPI (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL16855059 0.90 SLC7A5 (0.51) SLC7A5ACE
SCHEMBL16855196 0.90 SLC7A5 (0.51) SLC7A5ACE
SCHEMBL18222570 0.85 ACE (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9300989 0.85 ACE (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL10694682 0.85 ACE (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8605262 0.85 ACE (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6830447 0.85 ACE (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8213279 0.84 ACE (0.60) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7999080 0.82 MME (0.54) ALPIPKMPTGS1XIAPSLC7A5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015094444-A1 SUGAR-FREE SWEETENER BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2015-06-25 — — WO disclosed
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