SCHEMBL9847010

SCHEMBL9847010

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL526286 0.77 TDP1 (0.42) ALDH1A1TDP1
SCHEMBL27820519 0.72 TDP1 (0.37) TDP1
SCHEMBL9846985 0.72 TDP1 (0.38) ALDH1A1TDP1
SCHEMBL3279592 0.67
SCHEMBL11347329 0.66
Formaldehyde SCHEMBL11794812 0.65 ALDH1A1 (0.39) ALDH1A1MGAMGAASIMGAM2
SCHEMBL278338 0.65 TDP1 (0.36) ALDH1A1TDP1
SCHEMBL9847017 0.65 TDP1 (0.32) TDP1
SCHEMBL30388366 0.64 MGAM (0.53) ALDH1A1MGAMGAASIMGAM2
SCHEMBL29629171 0.64

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-0458561-A1 Emulsion polymerisation VINAMUL LTD. (GB) 1991-11-27 EP disclosed