Benzene

Benzene

SCHEMBL28145673

C=C(C)C(=O)OCCOC(=O)C(=C)C.c1ccccc1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.65
TSHR P16473 4/20 0.57
TDP1 Q9NUW8 2/20 0.50
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 5/20 0.46
ELANE P08246 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33

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
Benzene SCHEMBL434674 0.93 THRB (0.59) THRBTSHRTDP1POLBAPEX1
SCHEMBL6142874 0.92 THRB (0.74) THRBTSHRTDP1POLBAPEX1
SCHEMBL15636 0.92 THRB (0.74) THRBTSHRTDP1POLBAPEX1
Benzene SCHEMBL641783 0.91 THRB (0.57) THRBTSHRTDP1POLBAPEX1
Methacrylic Acid SCHEMBL9269881 0.90 THRB (0.65) THRBTSHRTDP1POLBAPEX1
Methacrylic Acid SCHEMBL11497673 0.90 THRB (0.65) THRBTSHRTDP1POLBAPEX1
Ethylene SCHEMBL955493 0.90 THRB (0.71) THRBTSHRTDP1POLBAPEX1
Ethylene SCHEMBL2367613 0.90 THRB (0.71) THRBTSHRTDP1POLBAPEX1
Ethylene SCHEMBL8506065 0.90 THRB (0.71) THRBTSHRTDP1POLBAPEX1
SCHEMBL3286289 0.90 THRB (0.71) THRBTSHRTDP1POLBAPEX1

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-103380177-B Crosslinkable resin molded body, crosslinked resin molded body, and laminate 日本瑞翁株式会社 2017-04-26 CN disclosed