SCHEMBL28873253

SCHEMBL28873253

C=C(C)C(=O)ON1C(C)(C)CC(N2CCNCC2)CC1(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
KMT2A Q03164 1/20 0.31
EPHX2 P34913 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
SCHEMBL28326743 0.78 MEN1 (0.38) KMT2AEPHX2
SCHEMBL28083261 0.77 MEN1 (0.38) KMT2AEPHX2
SCHEMBL4954106 0.71 ALDH1A1 (0.39) TSHRKMT2A
SCHEMBL7069922 0.70 ALDH1A1 (0.38) TSHR
SCHEMBL226077 0.69 ALDH1A1 (0.37) TSHRKMT2A
SCHEMBL1936417 0.68 HTR6 (0.35) KMT2A
Hydrochloric Acid SCHEMBL1935411 0.67 HPGD (0.35) KMT2A
SCHEMBL28133041 0.67 HTR6 (0.34) KMT2A
SCHEMBL14423644 0.66 HTR6 (0.39) KMT2A
SCHEMBL987701 0.65 GAA (0.35) TSHRKMT2A

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
CN-104788613-B Thermosetting resin composition, its cured film, the hard paint of thermmohardening type and display element 捷恩智株式会社 2019-06-04 CN disclosed