SCHEMBL10798987

SCHEMBL10798987

C=C(C)C(=O)OCCO.C=CC(=O)NCOCCCC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
THRB P10828 2/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
ACHE P22303 7/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MGLL Q99685 1/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL6247928 0.96 TSHR (0.44) TSHRTHRBZDHHC20ZDHHC2ACHE
SCHEMBL28577918 0.83 TSHR (0.57) TSHRTHRBZDHHC20ZDHHC2ACHE
SCHEMBL4967751 0.83 TSHR (0.62) TSHRTHRBACHEHPGDHTT
SCHEMBL36276 0.83 ZDHHC20 (0.56) TSHRTHRBZDHHC20ZDHHC2ACHE
SCHEMBL28225173 0.82 TSHR (0.43) TSHRTHRBZDHHC20ZDHHC2ACHE
Butoxyethanol SCHEMBL28213660 0.81 TSHR (0.61) TSHRTHRBACHEHPGDHTT
Ethylene SCHEMBL27963070 0.81 ZDHHC20 (0.55) TSHRTHRBZDHHC20ZDHHC2ACHE
SCHEMBL5856959 0.81 ALDH1A1 (0.42) TSHRTHRBZDHHC20ZDHHC2ALDH1A1
SCHEMBL4480986 0.81 TSHR (0.44) TSHRTHRBALDH1A1
SCHEMBL11242412 0.81 ALDH1A1 (0.57) TSHRTHRBZDHHC20ZDHHC2HPGD

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-0209753-A2 Active energy ray-curing resin composition CANON KABUSHIKI KAISHA (JP) 1987-01-28 EP disclosed