SCHEMBL7775465

SCHEMBL7775465

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CASP1 P29466 3/20 0.32
ITGB3 P05106 3/20 0.32
ITGA2B P08514 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
BLM P54132 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
GNPAT O15228 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
SCHEMBL8350972 0.86 ECE1 (0.36) TSHRALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL176159 0.84 CA2 (0.39) TSHRALDH1A1SMN1; SMN2MAPTGNPAT
SCHEMBL176161 0.84 CA2 (0.39) TSHRALDH1A1SMN1; SMN2MAPTGNPAT
SCHEMBL8994505 0.82 CA2 (0.38) ALDH1A1SMN1; SMN2GNPAT
SCHEMBL5141196 0.81 TSHR (0.44) TSHRMAPTSLC6A2SLC6A4BLM
SCHEMBL27942121 0.81 TSHR (0.44) TSHRMAPTSLC6A2SLC6A4BLM
SCHEMBL4970112 0.78 TSHR (0.34) TSHRALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL3043575 0.78 TSHR (0.34) TSHRALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL7482390 0.77 ECE1 (0.39) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL10972602 0.77 ECE1 (0.39) TSHRALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784050-B1 Novel aspartylamide derivatives and sweeteners AJINOMOTO KK (JP) 2001-10-04 EP disclosed
US-6010733-A ARTIFICIAL SWEETENER AJINOMOTO CO., INC. (JP) 2000-01-04 US disclosed
US-5861356-A SUPPLYING FERTILIZER WHEN HYDROLYZED WITH WATER DONLAR CORPORATION (US) 1999-01-19 US disclosed
WO-1998030100-A1 METHOD AND COMPOSITION FOR ENHANCED PLANT PRODUCTIVITY DONLAR CORPORATION (US) 1998-07-16 WO disclosed
EP-0784050-A1 Novel aspartylamide derivatives and sweeteners Ajinomoto Co., Inc. (JP) 1997-07-16 EP disclosed