SCHEMBL10693470

SCHEMBL10693470

COC(=O)C(C)N(O)C(C)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
CA14 Q9ULX7 3/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.40
MAPK1 P28482 1/20 0.40
CASP7 P55210 1/20 0.40
CA12 O43570 2/20 0.38
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
PLA2G1B P04054 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA7 P43166 1/20 0.31
CA9 Q16790 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
SCHEMBL4185593 0.80 SMN1; SMN2 (0.46) SMN1; SMN2CA14ALDH1A1TSHRMAPK1
SCHEMBL196927 0.78
SCHEMBL196928 0.78
Hydrochloric Acid SCHEMBL30281004 0.76 SMN1; SMN2 (0.42) SMN1; SMN2CA14ALDH1A1TSHRMAPK1
SCHEMBL6327937 0.75 SMN1; SMN2 (0.38) SMN1; SMN2CA14ALDH1A1TSHRMAPK1
SCHEMBL3665921 0.75 SMN1; SMN2 (0.40) SMN1; SMN2CA14ALDH1A1TSHRMAPK1
SCHEMBL23065552 0.74 CA14 (0.43) SMN1; SMN2CA14ALDH1A1TSHRMAPK1
SCHEMBL22918812 0.74 CA14 (0.43) SMN1; SMN2CA14ALDH1A1TSHRMAPK1
SCHEMBL13158086 0.74
SCHEMBL10695241 0.74 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1HTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269570-A2 Compositions stabilized with N-hydroxyiminodiacetic or dipropionic acids or esters thereof CIBA-GEIGY AG (CH) 1988-06-01 EP disclosed