SCHEMBL20143500

SCHEMBL20143500

C=CC(=O)NCCC(C)(C)OCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.38
TGM2 P21980 5/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL23353964 0.85 ZDHHC20 (0.42) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL28780817 0.84 ZDHHC20 (0.44) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL26066376 0.81 ZDHHC20 (0.39) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL19443745 0.81 ALDH1A1 (0.40) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL21577392 0.80 MEN1 (0.31) GAAMEN1KMT2A
SCHEMBL14000039 0.80 MEN1 (0.42) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL22419596 0.79 ZDHHC20 (0.37) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL18755073 0.79 ZDHHC20 (0.44) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL18950590 0.78 KDM4E (0.41) ALDH1A1TSHRMAPK1
SCHEMBL21132893 0.78 ZDHHC20 (0.54) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1

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
US-10836854-B2 Inverse Ugelstad particles SINTEF (NO) 2020-11-17 US disclosed
US-20180215852-A1 Inverse Ugelstad Particles SINTEF (NO) 2018-08-02 US disclosed
US-9968633-B2 Stimuli responsive compositions for iron chelation WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2018-05-15 US disclosed