SCHEMBL2204584

SCHEMBL2204584

CN[C@@H](CC(C)C=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.39
NAALAD2 Q9Y3Q0 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.35
ACE P12821 1/20 0.33
MME P08473 3/20 0.33
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS2 P35354 1/20 0.32
THPO P40225 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FPR2 P25090 1/20 0.32

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
SCHEMBL93451 0.78 ALDH1A1 (0.61) FOLH1NAALAD2ALDH1A1MEN1LMNA
SCHEMBL93453 0.78 ALDH1A1 (0.61) FOLH1NAALAD2ALDH1A1MEN1LMNA
SCHEMBL93452 0.78 ALDH1A1 (0.61) FOLH1NAALAD2ALDH1A1MEN1LMNA
SCHEMBL23468444 0.76 FOLH1 (0.76) FOLH1NAALAD2ALDH1A1MEN1LMNA
SCHEMBL22639578 0.76 FOLH1 (0.55) FOLH1NAALAD2ALDH1A1MEN1LMNA
SCHEMBL24363465 0.76 FOLH1 (0.76) FOLH1NAALAD2ALDH1A1MEN1LMNA
Hydrochloric Acid SCHEMBL19924628 0.76 ALDH1A1 (0.59) FOLH1NAALAD2ALDH1A1MEN1LMNA
Ammonia Solution, Strong SCHEMBL4650728 0.76 ALDH1A1 (0.59) FOLH1NAALAD2ALDH1A1MEN1LMNA
Ammonia Solution, Strong SCHEMBL4650725 0.76 ALDH1A1 (0.59) FOLH1NAALAD2ALDH1A1MEN1LMNA
SCHEMBL7611218 0.76 ALDH1A1 (0.59) FOLH1NAALAD2ALDH1A1MEN1LMNA

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
CN-102203269-B Process for producing n-protected amino acid KANEKA CORP 2015-03-18 CN disclosed
CN-102203269-A Process for producing n-protected amino acid KANEKA CORP 2011-09-28 CN disclosed
EP-2345733-A1 PROCESS FOR PRODUCING N-PROTECTED AMINO ACID Kaneka Corporation (JP) 2011-07-20 EP disclosed
EP-0308983-A2 NMR imaging with Mn(II) coordination compositions SALUTAR, INC. (US) 1989-03-29 EP disclosed