SCHEMBL4970548

SCHEMBL4970548

C=CC(N)C(C(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
BLM P54132 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
GRIK1 P39086 6/20 0.35
GRIK2 Q13002 5/20 0.35
ALDH1A1 P00352 2/20 0.33
PTGS1 P23219 2/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
SLC7A5 Q01650 1/20 0.32
FGFR4 P22455 1/20 0.32
GRM1 Q13255 1/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL22237934 0.85 SLC6A2 (0.34) TSHRSLC6A2SLC6A4BLMSLC6A3
SCHEMBL8057279 0.77
SCHEMBL278090 0.77
SCHEMBL175223 0.77
Methane SCHEMBL11157206 0.74
Hydrochloric Acid SCHEMBL28670206 0.74
Hydrochloric Acid SCHEMBL6461153 0.74
SCHEMBL7423158 0.69 GRIK1 (0.41) TSHRSLC6A2SLC6A4BLMSLC6A3
SCHEMBL7423147 0.69 GRIK1 (0.41) TSHRSLC6A2SLC6A4BLMSLC6A3
Carbamic Acid SCHEMBL28251191 0.69 SLC7A5 (0.40) TSHRSLC6A2SLC6A4BLMSLC6A3

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-7470451-B2 Binding agent component for surface coating agents with improved adhesive properties HENKEL AG & CO. KGAA (DE) 2008-12-30 US disclosed
US-20050129955-A1 Binding agent component for surface coating agents with improved adhesive properties HENKEL AG & CO. KGAA (DE) 2005-06-16 US disclosed
EP-1412437-A2 BINDING AGENT COMPONENT FOR SURFACE COATING AGENTS WITH IMPROVED ADHESIVE PROPERTIES Henkel Kommanditgesellschaft auf Aktien (DE) 2004-04-28 EP disclosed
WO-2003014236-A2 BINDING AGENT COMPONENT FOR SURFACE COATING AGENTS WITH IMPROVED ADHESIVE PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-02-20 WO disclosed