SCHEMBL7375349

SCHEMBL7375349

CC(C(=O)O)C(=O)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
PKM P14618 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 5/20 0.47
GAA P10253 2/20 0.46
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL3986818 0.82 SMN1; SMN2 (0.47) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL738198 0.80 SMN1; SMN2 (0.54) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL7283999 0.80 SMN1; SMN2 (0.46) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL3054776 0.78 SMN1; SMN2 (0.52) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL13912231 0.78 SMN1; SMN2 (0.58) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL2115037 0.78 SMN1; SMN2 (0.52) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL762984 0.78 SMN1; SMN2 (0.52) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL5778346 0.78 SMN1; SMN2 (0.52) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL27548005 0.77 SMN1; SMN2 (0.45) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL9036055 0.77 SMN1; SMN2 (0.50) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0383635-A2 Peptides having renin inhibitory activity their preparation and use Sankyo Company Limited (JP) 1990-08-22 EP disclosed
US-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 US disclosed