SCHEMBL4428120

SCHEMBL4428120

C=C(C)C(=O)OCCN1C=NC(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
TSHR P16473 3/20 0.37
POLB P06746 2/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
GAA P10253 2/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL71624 0.74 THRB (0.40) THRBTSHRPOLBAPEX1HTT
SCHEMBL9281113 0.70 THRB (0.42) THRBTSHRPOLBAPEX1HTT
SCHEMBL150780 0.70 THRB (0.48) THRBTSHRPOLBAPEX1HTT
SCHEMBL2036447 0.69 THRB (0.44) THRBTSHRPOLBAPEX1HTT
SCHEMBL211511 0.69 MGLL (0.48) THRBTSHRPOLBAPEX1HTT
SCHEMBL4188784 0.69 THRB (0.44) THRBTSHRPOLBAPEX1HTT
Hydrochloric Acid SCHEMBL38662511 0.69 THRB (0.41) THRBTSHRPOLBAPEX1HTT
SCHEMBL16739318 0.69 THRB (0.45) THRBTSHRPOLBAPEX1HTT
SCHEMBL28189802 0.69 KMT2A (0.43) KMT2ANPSR1
SCHEMBL31556453 0.68 THRB (0.43) THRBTSHRPOLBAPEX1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091983-A1 AMPHIPHILIC GRAFT POLYMERS Sued-Chemie AG (DE) 2009-08-26 EP disclosed
WO-2008046652-A1 AMPHIPHILIC GRAFT POLYMERS Süd-Chemie AG (DE) 2008-04-24 WO disclosed