SCHEMBL9687198

SCHEMBL9687198

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.52
THRB P10828 1/20 0.50
ALDH1A1 P00352 8/20 0.40
TP53 P04637 4/20 0.40
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.34
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ACHE P22303 1/20 0.32
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
Acrylic Acid SCHEMBL27980474 0.90 TSHR (0.50) TSHRTHRBALDH1A1TP53POLB
Acrylic Acid SCHEMBL3447729 0.90 TSHR (0.50) TSHRTHRBALDH1A1TP53POLB
Propene SCHEMBL998377 0.90 THRB (0.52) TSHRTHRBALDH1A1TP53POLB
Propene SCHEMBL10531739 0.90 THRB (0.52) TSHRTHRBALDH1A1TP53POLB
Propene SCHEMBL628378 0.90 THRB (0.52) TSHRTHRBALDH1A1TP53POLB
Propene SCHEMBL10530371 0.90 THRB (0.52) TSHRTHRBALDH1A1TP53POLB
Propene SCHEMBL10531877 0.90 THRB (0.52) TSHRTHRBALDH1A1TP53POLB
Propene SCHEMBL6739183 0.90 THRB (0.52) TSHRTHRBALDH1A1TP53POLB
Propene SCHEMBL10531728 0.90 THRB (0.52) TSHRTHRBALDH1A1TP53POLB
Propene SCHEMBL4957928 0.90 THRB (0.52) TSHRTHRBALDH1A1TP53POLB

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-5081180-A Graft copolymers as polyether stabilizers THE DOW CHEMICAL COMPANY 1992-01-14 US disclosed