Benzene

Benzene

SCHEMBL17022334

C=C(C)C(=O)S.c1ccccc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
FFAR3 O14843 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
HPGD P15428 1/20 0.34
ELANE P08246 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
SCHEMBL176351 0.89
Methacrylic Acid SCHEMBL27734076 0.80 TDP1 (0.42) TDP1ALDH1A1KDM4EFFAR3LCK
Methacrylic Acid SCHEMBL3421717 0.79 TDP1 (0.47) TDP1ALDH1A1KDM4EFFAR3LCK
Methacrylic Acid SCHEMBL3426195 0.79 TDP1 (0.47) TDP1ALDH1A1KDM4EFFAR3LCK
Methacrylic Acid SCHEMBL3858692 0.79 TDP1 (0.47) TDP1ALDH1A1KDM4EFFAR3LCK
Methacrylic Acid SCHEMBL225835 0.79 TDP1 (0.47) TDP1ALDH1A1KDM4EFFAR3LCK
Methacrylic Acid SCHEMBL8216148 0.76 TDP1 (0.44) TDP1ALDH1A1KDM4EFFAR3LCK
Methacrylic Acid SCHEMBL21951179 0.76 TDP1 (0.44) TDP1ALDH1A1KDM4EFFAR3LCK
Methacrylic Acid SCHEMBL29142533 0.76 TDP1 (0.44) TDP1ALDH1A1KDM4EFFAR3LCK
Methacrylic Acid SCHEMBL11900544 0.76 TDP1 (0.44) TDP1ALDH1A1KDM4EFFAR3LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2910592-B1 POLYMERIZABLE COMPOSITION, AND CURED ARTICLE MITSUBISHI GAS CHEMICAL CO (JP) 2018-09-05 EP disclosed
US-9376603-B2 Polymerizable composition, and cured article MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-06-28 US disclosed
US-20150252234-A1 POLYMERIZABLE COMPOSITION, AND CURED ARTICLE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-09-10 US disclosed
EP-2910592-A1 POLYMERIZABLE COMPOSITION, AND CURED ARTICLE Mitsubishi Gas Chemical Company, Inc. (JP) 2015-08-26 EP disclosed