SCHEMBL7637582

SCHEMBL7637582

C=CC(=O)NC(CO)(CO)CO.C=CC(=O)NCO

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TGM2 P21980 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 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
SCHEMBL105869 0.89 ALDH1A1 (0.44) ALDH1A1MAPK1TSHRTDP1ZDHHC20
SCHEMBL1488043 0.82 TSHR (0.65) ALDH1A1MAPK1TSHRTDP1ZDHHC20
SCHEMBL25806 0.82
Water SCHEMBL9482345 0.80
Ammonia Solution, Strong SCHEMBL27963019 0.80
Formaldehyde SCHEMBL8466228 0.80
Ethylene SCHEMBL10406317 0.80
SCHEMBL28956758 0.80
Methane SCHEMBL27684800 0.80
SCHEMBL11037418 0.80 TSHR (0.46) ALDH1A1MAPK1TSHRTDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809103-A2 Stable denaturants for use in electrophoretic techniques and methods of using the same FMC CORPORATION (US) 1997-11-26 EP claimed
US-6468408-B2 Polymeric electrolyte HAMILTON BONADUZ AG (CH) 2002-10-22 US disclosed
EP-0809103-A2 Stable denaturants for use in electrophoretic techniques and methods of using the same FMC CORPORATION (US) 1997-11-26 EP disclosed