SCHEMBL10698103

SCHEMBL10698103

C=C(C)C(=O)OC.C=C(C)C(=O)OCCN1CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
THRB P10828 1/20 0.44
TSHR P16473 3/20 0.43
SLC29A1 Q99808 2/20 0.40
DRD3 P35462 1/20 0.37
SLC18A3 Q16572 1/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD11B1 P28845 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL12860038 0.93 THRB (0.50) ALDH1A1THRBTSHRSLC29A1DRD3
SCHEMBL235038 0.93 THRB (0.50) ALDH1A1THRBTSHRSLC29A1DRD3
SCHEMBL3190974 0.88 THRB (0.46) ALDH1A1THRBTSHRSLC29A1DRD3
SCHEMBL22838359 0.86 THRB (0.49) ALDH1A1THRBTSHRSLC29A1SLC18A3
SCHEMBL68168 0.86 THRB (0.47) ALDH1A1THRBTSHRDRD3HRH2
SCHEMBL22852458 0.85 THRB (0.43) ALDH1A1THRBTSHRSLC29A1DRD3
SCHEMBL21274378 0.84 KMT2A (0.46) ALDH1A1THRBTSHRPOLB
SCHEMBL881770 0.84 KMT2A (0.46) ALDH1A1THRBTSHRPOLB
SCHEMBL68651 0.84 KMT2A (0.46) ALDH1A1THRBTSHRPOLB
Bromide SCHEMBL10788752 0.83 KMT2A (0.45) ALDH1A1THRBTSHRPOLB

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-0265091-A1 Group transfer polymerization and initiators therefor E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-04-27 EP disclosed