SCHEMBL9562635

SCHEMBL9562635

C=C(C)C#N.C=C(C)C(=O)OCCCC

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.68
THRB P10828 1/20 0.50
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 3/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.41
TP53 P04637 1/20 0.39
HCAR2 Q8TDS4 1/20 0.37
NAAA Q02083 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX1 P07099 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
SCHEMBL11031987 0.90 THRB (0.57) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL19066401 0.89 TSHR (0.84) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL14893 0.89 TSHR (0.84) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL11583525 0.89 TSHR (0.84) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL7090691 0.87 TSHR (0.81) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL4019138 0.87 TSHR (0.81) TSHRTHRBALDH1A1TDP1POLB
Ethylene SCHEMBL678650 0.87 TSHR (0.81) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL31757151 0.87 TSHR (0.81) TSHRTHRBALDH1A1TDP1POLB
Hydrochloric Acid SCHEMBL15845918 0.87 TSHR (0.81) TSHRTHRBALDH1A1TDP1POLB
Methyl Alcohol SCHEMBL3868398 0.87 TSHR (0.81) TSHRTHRBALDH1A1TDP1POLB

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-5250361-A Containing copolymer of (meth)acrylonitrile and acrylated ester RICOH COMPANY LTD. (JP) 1993-10-05 US disclosed