SCHEMBL28123718

SCHEMBL28123718

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.56
HPGD P15428 1/20 0.40
ALDH1A1 P00352 5/20 0.40
TP53 P04637 3/20 0.40
HIF1A Q16665 3/20 0.40
CYP3A4 P08684 2/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 3/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRM3 P20309 1/20 0.39
CHRNA4 P43681 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
DNM1 Q05193 1/20 0.33
BCHE P06276 1/20 0.32
PHLPP2 Q6ZVD8 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
SCHEMBL9506277 1.00 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1538397 0.94 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9770098 0.92 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
Acrylonitrile SCHEMBL7146647 0.92 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL16053387 0.92 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28514930 0.92 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
Methacrylic Acid SCHEMBL28076204 0.90 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8499179 0.89 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL932598 0.89 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2414790 0.89 THRB (0.47) TSHRALDH1A1CYP3A4THRBCHRM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459231-B method for producing vinyl resin 株式会社可乐丽 2018-07-03 CN disclosed
CN-106459231-A Method for producing vinyl resin 株式会社可乐丽 2017-02-22 CN disclosed