SCHEMBL21133322

SCHEMBL21133322

C=C(C)C(=O)OCCNCCCC[C@H](N)C=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
THRB P10828 1/20 0.37
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PAOX Q6QHF9 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
SCHEMBL19987937 0.83 NOS2 (0.40) TSHRTHRB
SCHEMBL21133101 0.82 TSHR (0.39) TSHRALDH1A1
SCHEMBL9321905 0.78 THRB (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL20537360 0.78 TSHR (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11520523 0.78 TSHR (0.49) TSHRTHRBPOLBAPEX1HTT
Acetic Acid SCHEMBL11303299 0.77 TSHR (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL7892697 0.77 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4650020 0.77 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL13950019 0.77 THRB (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2047037 0.76 TSHR (0.39) TSHRTHRBPOLBAPEX1HTT

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-3299400-B1 LATEX FUNCTIONALIZED WITH STRUCTURAL UNITS OF AN AMINO ACID ROHM & HAAS (US) 2019-06-26 EP disclosed