SCHEMBL11530639

SCHEMBL11530639

C=C(C)C(=O)OCCN1CC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33

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
SCHEMBL8675820 0.79 THRB (0.40) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9230252 0.78 THRB (0.42) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL17029722 0.78 THRB (0.39) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11744218 0.77 THRB (0.41) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL235038 0.76 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL327201 0.76 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12860038 0.76 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL6142874 0.73 THRB (0.74) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15636 0.73 THRB (0.74) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL68168 0.73 THRB (0.47) THRBTSHRALDH1A1

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-4148981-A Dithiophosphorylated copolymers of aziridineethyl acrylates or methacrylates and alkyl acrylates or methacrylates GULF RESEARCH & DEVELOPMENT COMPANY (US) 1979-04-10 US claimed