SCHEMBL4186382

SCHEMBL4186382

CCC(=O)NC(CCCNC(N)=O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.59
NOD1 Q9Y239 8/20 0.48
CTDSP1 Q9GZU7 1/20 0.47
SHMT1 P34896 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KLK7 P49862 1/20 0.44
GNPAT O15228 1/20 0.43
FOLH1 Q04609 1/20 0.42
POLB P06746 1/20 0.41
SLC6A5 Q9Y345 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40

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
SCHEMBL4186386 1.00 C3AR1 (0.59) C3AR1NOD1CTDSP1SHMT1MEN1
SCHEMBL6002349 0.88 MEN1 (0.55) C3AR1NOD1MEN1KMT2AGNPAT
SCHEMBL9905595 0.88 MEN1 (0.55) C3AR1NOD1MEN1KMT2AGNPAT
SCHEMBL2338931 0.88 C3AR1 (0.47) C3AR1NOD1CTDSP1MEN1KMT2A
SCHEMBL2338925 0.88 C3AR1 (0.47) C3AR1NOD1CTDSP1MEN1KMT2A
SCHEMBL2113661 0.85 C3AR1 (0.56) C3AR1NOD1CTDSP1SHMT1MEN1
SCHEMBL27860339 0.85 C3AR1 (0.56) C3AR1NOD1CTDSP1SHMT1MEN1
Acetic Acid SCHEMBL10557206 0.85 C3AR1 (0.45) C3AR1NOD1CTDSP1MEN1KMT2A
SCHEMBL5497852 0.84 C3AR1 (0.55) C3AR1NOD1CTDSP1SHMT1MEN1
SCHEMBL5497855 0.84 C3AR1 (0.55) C3AR1NOD1CTDSP1SHMT1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186853-A1 COMPOSITIONS COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU RUEY J 2009-07-23 US claimed
EP-1865953-A4 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU RUEY J (US) 2008-04-30 EP claimed
EP-1865953-A2 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF Yu, Ruey J., Dr. (US) 2007-12-19 EP claimed
WO-2006101940-A2 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU, RUEY, J. (US) 2006-09-28 WO claimed
US-20060211754-A1 Compositions comprising N-propanoyl derivatives of amino acids, aminocarbohydrates and derivatives thereof YU RUEY J 2006-09-21 US claimed
US-20050171194-A1 Enlargement of mucocutaneous or cutaneous organs and sites with topical compositions YU RUEY J (US) 2005-08-04 US claimed
US-20090186853-A1 COMPOSITIONS COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU RUEY J 2009-07-23 US disclosed
EP-1865953-A4 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU RUEY J (US) 2008-04-30 EP disclosed
EP-1865953-A2 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF Yu, Ruey J., Dr. (US) 2007-12-19 EP disclosed
WO-2006101940-A2 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU, RUEY, J. (US) 2006-09-28 WO disclosed
US-20060211754-A1 Compositions comprising N-propanoyl derivatives of amino acids, aminocarbohydrates and derivatives thereof YU RUEY J 2006-09-21 US disclosed
US-20050171194-A1 Enlargement of mucocutaneous or cutaneous organs and sites with topical compositions YU RUEY J (US) 2005-08-04 US disclosed
WO-2005055947-A2 ENLARGEMENT OF MUCOCUTANEOUS OR CUTANEOUS ORGANS AND SITES WITH TOPICAL COMPOSITIONS YU RUEY J (US) 2005-06-23 WO disclosed