SCHEMBL17175306

SCHEMBL17175306

C=CC(=O)NCC(C)(CC)CNCC(C)(CC)CN

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
GAA P10253 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
SCHEMBL22016023 0.83 TSHR (0.48) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL21131166 0.82 ZDHHC20 (0.49) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL24690184 0.77 ZDHHC20 (0.44) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL15434515 0.75 CYP2D6 (0.33) TSHRTDP1
SCHEMBL5693415 0.74 TSHR (0.46) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL24690197 0.74 ZDHHC20 (0.50) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL10964054 0.74 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL22490941 0.72 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL12314771 0.72 TSHR (0.48) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL24486557 0.72 ZDHHC20 (0.56) ALDH1A1TSHRMAPK1TDP1ZDHHC20

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
US-20150293081-A1 ANALYTE-MEASURING SENSOR JNC CORPORATION (JP) 2015-10-15 US disclosed