Benzene

Benzene

SCHEMBL8772852

CCCCNCCCC.c1ccccc1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
ALDH1A1 P00352 1/20 0.65
SIGMAR1 Q99720 2/20 0.54
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
ADH1B P00325 1/20 0.46
ADH1C P00326 1/20 0.46
ADH1A P07327 1/20 0.46
ADH7 P40394 1/20 0.46
CYP1A2 P05177 1/20 0.45
HRH4 Q9H3N8 3/20 0.41
HRH3 Q9Y5N1 3/20 0.41
ALOX15 P16050 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
S1PR2 O95136 4/20 0.39
S1PR4 O95977 4/20 0.39
S1PR1 P21453 4/20 0.39

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
Hydrogen Peroxide SCHEMBL138347 0.90 TSHR (0.69) TSHRALDH1A1SIGMAR1CYP2C19KMT2A
Hydrogen Peroxide SCHEMBL138349 0.90 TSHR (0.69) TSHRALDH1A1SIGMAR1CYP2C19KMT2A
SCHEMBL27946380 0.89 TSHR (0.79) TSHRALDH1A1SIGMAR1CYP2C19KMT2A
SCHEMBL2532 0.89
Benzene SCHEMBL28999857 0.88 TSHR (0.77) TSHRALDH1A1SIGMAR1CYP2C19ADH1B
Benzene SCHEMBL28999842 0.88 TSHR (0.77) TSHRALDH1A1SIGMAR1CYP2C19ADH1B
SCHEMBL5323389 0.86 TSHR (0.73) TSHRALDH1A1SIGMAR1CYP2C19KMT2A
Hydrochloric Acid SCHEMBL6233205 0.86 TSHR (0.73) TSHRALDH1A1SIGMAR1CYP2C19KMT2A
SCHEMBL3692236 0.86 TSHR (0.73) TSHRALDH1A1SIGMAR1CYP2C19KMT2A
SCHEMBL19741590 0.86 TSHR (0.73) TSHRALDH1A1SIGMAR1CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104698754-B A kind of photoetching compositions prepared based on PCDL type polyurethane acrylate 江南大学 2018-11-13 CN claimed
CN-105622891-B A kind of preparation method of polysiloxane emulsion modified aqueous polyurethane emulsion 江南大学 2018-04-17 CN disclosed
CN-106750140-A A kind of amine modified urethane acrylate light-cured resin and preparation method thereof 天津久日新材料股份有限公司 2017-05-31 CN disclosed
EP-0561847-B1 PHOTOSENSITIVE POLYMERS AND PRINTING PLATES LASTRA SPA (IT) 1997-08-27 EP disclosed
EP-0561847-A1 PHOTOSENSITIVE POLYMERS AND PRINTING PLATES. LASTRA SPA (IT) 1993-09-29 EP disclosed
WO-1992010523-A1 PHOTOSENSITIVE POLYMERS AND PRINTING PLATES LASTRA S.P.A. (IT) 1992-06-25 WO disclosed