Benzene

Benzene

SCHEMBL28116485

C=C(C)C(=O)OCCO.c1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.53
TSHR P16473 4/20 0.52
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.41
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
ELANE P08246 1/20 0.37
MAPT P10636 1/20 0.34
ACHE P22303 1/20 0.33
SLC7A5 Q01650 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
Acetic Acid SCHEMBL2590428 0.93 THRB (0.55) THRBTSHRPOLBAPEX1HTT
SCHEMBL6864388 0.93 THRB (0.59) THRBTSHRPOLBAPEX1HTT
SCHEMBL29229747 0.93 THRB (0.59) THRBTSHRPOLBAPEX1HTT
SCHEMBL14886 0.93
Benzene SCHEMBL7538512 0.92 THRB (0.47) THRBTSHRPOLBAPEX1HTT
Methacrylic Acid SCHEMBL9453862 0.91 THRB (0.53) THRBTSHRPOLBAPEX1HTT
Methacrylic Acid SCHEMBL467445 0.91 THRB (0.53) THRBTSHRPOLBAPEX1HTT
SCHEMBL19747268 0.91
Ethylene SCHEMBL10530398 0.91 THRB (0.57) THRBTSHRPOLBAPEX1HTT
Ethylene SCHEMBL629900 0.91 THRB (0.57) THRBTSHRPOLBAPEX1HTT

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 disclosed