Isoleucine

Isoleucine

SCHEMBL7380261

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

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.44
ACE P12821 3/20 0.41
MME P08473 2/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
CTSC P53634 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
NAALAD2 Q9Y3Q0 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 0.89 GGT1 (0.47) GGT1ACEMMESMN1; SMN2TSHR
Threonine SCHEMBL7376382 0.88 GGT1 (0.46) GGT1ACEMMETSHRNAALAD2
Alanine SCHEMBL7382718 0.88 GGT1 (0.50) GGT1ACEMMESMN1; SMN2TSHR
SCHEMBL6423726 0.85 GGT1 (0.57) GGT1ACEMMESMN1; SMN2NAALAD2
Homophenylalanine SCHEMBL7383933 0.83 GGT1 (0.50) GGT1ACEMMESMN1; SMN2NAALAD2
Leucine SCHEMBL6415294 0.82 LTA4H (0.46) GGT1MME
Isoleucine SCHEMBL6416482 0.82 MME (0.49) ACEMME
Glutamic Acid SCHEMBL7375280 0.82 GGT1 (0.49) GGT1ACEMMENAALAD2
Norleucine SCHEMBL7430731 0.81 NOD1 (0.48) GGT1MMES1PR2S1PR1S1PR3
Serine SCHEMBL7384366 0.81 GGT1 (0.48) GGT1ACEMMESMN1; SMN2NAALAD2

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 6 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-1047450-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 2000-11-02 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-1999032150-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-07-01 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