Threonine

Threonine

SCHEMBL7376382

C[C@@H](O)[C@H](N)C(=O)O.O=C(O)CCN[C@H](CCc1ccccc1)C(=O)O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 3/20 0.46
MME P08473 1/20 0.42
ACE P12821 2/20 0.41
TSHR P16473 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
KEAP1 Q14145 1/20 0.40
MMP3 P08254 1/20 0.39

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
Valine SCHEMBL7377141 0.91 GGT1 (0.47) GGT1MMEACETSHRNAALAD2
Alanine SCHEMBL7382718 0.90 GGT1 (0.50) GGT1MMEACETSHRNAALAD2
Isoleucine SCHEMBL7380261 0.88 GGT1 (0.44) GGT1MMEACETSHRNAALAD2
SCHEMBL6423726 0.87 GGT1 (0.57) GGT1MMEACENAALAD2KEAP1
Homophenylalanine SCHEMBL7383933 0.85 GGT1 (0.50) GGT1MMEACENAALAD2PKM
Leucine SCHEMBL6415294 0.84 LTA4H (0.46) GGT1MMELMNAPKMMMP3
Glutamic Acid SCHEMBL7375280 0.84 GGT1 (0.49) GGT1MMEACENAALAD2PKM
Phenylalanine SCHEMBL7432097 0.82 ALPI (0.56) GGT1MMEACENAALAD2PKM
Serine SCHEMBL7384366 0.82 GGT1 (0.48) GGT1MMEACENAALAD2PKM
SCHEMBL7383218 0.81 GGT1 (0.53) GGT1MMEACETSHRNAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1063991-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY LLC (US) 2001-01-03 EP disclosed
EP-0946166-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1999-10-06 EP disclosed
WO-1999047138-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-23 WO disclosed
WO-1998026773-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1998-06-25 WO disclosed