SCHEMBL3168403

SCHEMBL3168403

CCCCOC(=O)CNCC#CC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.51
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
MAPK1 P28482 2/20 0.51
CYP3A4 P08684 1/20 0.51
LTA4H P09960 5/20 0.46
MAPT P10636 1/20 0.40
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CTSK P43235 1/20 0.38
CETP P11597 3/20 0.38

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
SCHEMBL3161531 0.93 LTA4H (0.44) L3MBTL1ALDH1A1TSHRTDP1MAPK1
SCHEMBL3182451 0.88 ALDH1A1 (0.43) L3MBTL1ALDH1A1TSHRTDP1MAPK1
SCHEMBL3167777 0.88 PPID (0.49) L3MBTL1ALDH1A1MAPK1LTA4HMAPT
SCHEMBL3177917 0.85 ALDH1A1 (0.45) L3MBTL1ALDH1A1TDP1MAPK1CTSL
SCHEMBL3175369 0.85 GAA (0.47) L3MBTL1ALDH1A1TDP1MAPK1MAPT
SCHEMBL3170802 0.82 ALDH1A1 (0.44) ALDH1A1LTA4HMAPTMEN1KMT2A
SCHEMBL2580034 0.82 ALDH1A1 (0.47) L3MBTL1ALDH1A1TDP1MAPK1CTSL
SCHEMBL3175029 0.82 ALDH1A1 (0.40) L3MBTL1ALDH1A1TSHRMAPK1CYP3A4
SCHEMBL3171210 0.81 SYK (0.42) L3MBTL1ALDH1A1TDP1MAPK1MAPT
SCHEMBL3178284 0.81 TSHR (0.48) L3MBTL1ALDH1A1TSHRTDP1MAPK1

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
US-7645607-B2 Method for producing optically active N-protected-propargylglycine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-12 US disclosed
EP-1705252-B1 Method for producing optically active N-protected-propargylglycine SUMITOMO CHEMICAL CO (JP) 2008-07-16 EP disclosed
US-20060216806-A1 Method for producing optically active N-protected-propargylglycine SUMITOMO CHEMICAL COMPANY, LIMITED 2006-09-28 US disclosed
EP-1705252-A1 Method for producing optically active N-protected-propargylglycine Sumitomo Chemical Company, Limited (JP) 2006-09-27 EP disclosed