SCHEMBL1082115

SCHEMBL1082115

C=CC(=O)NCC(OC)OC.C=CC(=O)NCCCC(OC)OC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TGM2 P21980 13/20 0.36
GAA P10253 2/20 0.36
KMT5A Q9NQR1 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL1070119 0.94 ZDHHC20 (0.53) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL3272650 0.89 ZDHHC20 (0.56) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL3273549 0.87 ZDHHC20 (0.59) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL514524 0.87 ALDH1A1 (0.48) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL3288459 0.83 ZDHHC20 (0.47) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL9312184 0.80 ALDH1A1 (0.41) ZDHHC20ZDHHC2ALDH1A1KMT2A
SCHEMBL9314156 0.80 ALDH1A1 (0.41) ZDHHC20ZDHHC2ALDH1A1KMT2A
SCHEMBL9312171 0.80 ALDH1A1 (0.41) ZDHHC20ZDHHC2ALDH1A1KMT2A
SCHEMBL7966933 0.78 ZDHHC20 (0.54) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL12723744 0.76 ZDHHC20 (0.52) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1

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-2275463-A1 Support for electrophoresis containing a composition and method Life Technologies Corporation (US) 2011-01-19 EP disclosed