Deaminohydroxyvaline

Deaminohydroxyvaline

SCHEMBL15323665

CC(C)C(O)C(=O)O.CO.O=C(O)CC(=O)O.O=CO.OCC(O)CO

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.33
ALDH1A1 P00352 2/20 0.31
LDHA P00338 1/20 0.31
SRR Q9GZT4 1/20 0.31
LMNA P02545 1/20 0.31
OR51E2 Q9H255 1/20 0.30
TSHR P16473 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
Deaminohydroxyvaline SCHEMBL15323262 0.98 PDE4A (0.34) PDE4AALDH1A1LDHASRRLMNA
Malonic Acid SCHEMBL15322924 0.87 LMNA (0.41) ALDH1A1LDHASRRLMNAOR51E2
Malonic Acid SCHEMBL15323828 0.83 LMNA (0.45) PDE4AALDH1A1LDHASRRLMNA
Succinic Acid SCHEMBL15323337 0.82 EGLN1 (0.36) ALDH1A1LDHASRRLMNA
Deaminohydroxyvaline SCHEMBL15324660 0.80 GPR84 (0.31)
Malonic Acid SCHEMBL15324318 0.80 LDHA (0.35) ALDH1A1LDHASRRLMNA
Deaminohydroxyvaline SCHEMBL15324671 0.79 GPR84 (0.40) PDE4AOR51E2TSHR
Malonic Acid SCHEMBL15323090 0.78 LDHA (0.36) ALDH1A1LDHASRRLMNAOR51E2
Succinic Acid SCHEMBL15323882 0.77 EGLN1 (0.39) ALDH1A1LDHASRRLMNAOR51E2
Malonic Acid SCHEMBL15323198 0.77 GPR84 (0.41) OR51E2

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
EP-2836833-A1 PRENATAL SCREENING FOR DOWN SYNDROME AND TRISOMY 18 Wayne State University (US) 2015-02-18 EP disclosed
WO-2013155456-A1 PRENATAL SCREENING FOR DOWN SYNDROME AND TRISOMY 18 WAYNE STATE UNIVERSITY (US) 2013-10-17 WO disclosed