Valine

Valine

SCHEMBL8079537

CC(C)[C@H](N)C(=O)O.C[C@@H](O)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)OC(=O)[C@@H](N)Cc1ccc(OC(=O)[C@@H](N)CCC(N)=O)cc1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.35
PRSS1 P07477 2/20 0.33
TMPRSS15 P98073 2/20 0.33
PTPN1 P18031 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
TPH1 P17752 2/20 0.32
SLC7A5 Q01650 2/20 0.31
SRC P12931 2/20 0.31
ALOX15 P16050 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31
ZAP70 P43403 2/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
LDHA P00338 1/20 0.30

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
SCHEMBL1537414 0.78 SLC7A5 (0.50) PTGS2PTPN1ITGB3ITGA2BTPH1
SCHEMBL16972711 0.78 SLC7A5 (0.50) PTGS2PTPN1ITGB3ITGA2BTPH1
Tyrosine SCHEMBL8079541 0.78 SLC7A5 (0.53) PTGS2PTPN1TPH1SLC7A5ALOX15
Glutamic Acid SCHEMBL1931271 0.77 THRB (0.35) ITGB3ITGA2B
Glutamic Acid SCHEMBL6141119 0.77 THRB (0.36) ITGB3ITGA2B
Glutamine SCHEMBL8971920 0.77 PTPN1 (0.33) PTGS2PRSS1TMPRSS15PTPN1ITGB3
Lysine SCHEMBL4610451 0.75 ITGB3 (0.52) PTGS2PTPN1ITGB3ITGA2BTPH1
Lysine SCHEMBL5358311 0.75 ITGB3 (0.52) PTGS2PTPN1ITGB3ITGA2BTPH1
Tyrosine SCHEMBL8392469 0.74 SLC7A5 (0.60) PTGS2PTPN1ITGB3ITGA2BTPH1
SCHEMBL8588120 0.72 PTPN1 (0.34) PTGS2PRSS1TMPRSS15PTPN1ITGB3

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
EP-0668772-B1 SPECIFIC IMMUNE SYSTEM MODULATION UNIV YALE (US) 2000-08-30 EP disclosed