SCHEMBL7590954

SCHEMBL7590954

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

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
DPP4 P27487 2/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL11413701 0.79 ALDH1A1 (0.38) ALDH1A1DPP4SMN1; SMN2
SCHEMBL2185036 0.78 ALDH1A1 (0.37) ALDH1A1DPP4
SCHEMBL6919191 0.74 ALDH1A1 (0.48) ALDH1A1DPP4SMN1; SMN2
SCHEMBL2446348 0.74 ALDH1A1 (0.48) ALDH1A1DPP4SMN1; SMN2
SCHEMBL612188 0.74 ALDH1A1 (0.41) ALDH1A1DPP4SMN1; SMN2
SCHEMBL14521230 0.74 ALDH1A1 (0.41) ALDH1A1DPP4SMN1; SMN2
SCHEMBL3056302 0.74 DPP4 (0.34) ALDH1A1DPP4SMN1; SMN2
SCHEMBL12610741 0.72 ALDH1A1 (0.38) ALDH1A1DPP4SMN1; SMN2
SCHEMBL2187457 0.71 ALDH1A1 (0.45) ALDH1A1DPP4SMN1; SMN2
Acrylamide SCHEMBL7521468 0.70 ALDH1A1 (0.39) ALDH1A1DPP4

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
EP-1245650-A2 Low foam N,N'-dialkylmalamide wetting agents AIR PRODUCTS AND CHEMICALS, INC. (US) 2002-10-02 EP claimed
US-6413914-B1 AQUEOUS SOLUTIONS; REDUCING SURFACE TENSION; RENEWABLE-BASED SURFACTANTS AIR PRODUCTS AND CHEMICALS, INC. 2002-07-02 US claimed
EP-1245650-A2 Low foam N,N'-dialkylmalamide wetting agents AIR PRODUCTS AND CHEMICALS, INC. (US) 2002-10-02 EP disclosed
US-6413914-B1 AQUEOUS SOLUTIONS; REDUCING SURFACE TENSION; RENEWABLE-BASED SURFACTANTS AIR PRODUCTS AND CHEMICALS, INC. 2002-07-02 US disclosed