SCHEMBL28116495

SCHEMBL28116495

C=C(C)C(=O)OCCO.C=Cc1ccc(C=C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 4/20 0.42
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
SNCA P37840 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
SCHEMBL9126871 0.94 CA1 (0.44) THRBTDP1POLBAPEX1HTT
4-Vinylphenol SCHEMBL9490113 0.94 THRB (0.39) THRBTDP1POLBAPEX1HTT
Styrene SCHEMBL409075 0.92 TDP1 (0.43) THRBTDP1POLBAPEX1HTT
Styrene SCHEMBL9305623 0.92 TDP1 (0.43) THRBTDP1POLBAPEX1HTT
SCHEMBL6024939 0.91 SNCA (0.40) THRBTDP1POLBAPEX1HTT
Styrene SCHEMBL11239895 0.90 TDP1 (0.41) THRBTDP1POLBAPEX1HTT
Styrene SCHEMBL28447649 0.90 TDP1 (0.41) THRBTDP1POLBAPEX1HTT
SCHEMBL6985652 0.89 TDP1 (0.55) THRBTDP1POLBAPEX1HTT
Styrene SCHEMBL28571582 0.88 POLB (0.40) THRBTDP1POLBAPEX1HTT
SCHEMBL2116688 0.88 TDP1 (0.40) THRBTDP1POLBAPEX1HTT

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
CN-104558261-B Supported metallocene catalyst system and preparation method thereof 中国石油天然气股份有限公司 2017-01-18 CN claimed