Benzene

Benzene

SCHEMBL28097533

CCCCC(C=O)CC.c1ccccc1

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.86
SMN1; SMN2 Q16637 1/20 0.86
CA2 P00918 3/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 1/20 0.37
CTSK P43235 9/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSH P09668 1/20 0.35
CA1 P00915 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 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 SCHEMBL28179282 0.98 TSHR (0.83) TSHRSMN1; SMN2CA2MAPK1ALDH1A1
SCHEMBL15760 0.93
SCHEMBL5470583 0.93
SCHEMBL9466751 0.93
SCHEMBL150736 0.91 TSHR (0.95) TSHRSMN1; SMN2CA2MAPK1ALDH1A1
SCHEMBL7185714 0.91 TSHR (0.95) TSHRSMN1; SMN2CA2MAPK1ALDH1A1
SCHEMBL1235699 0.91 TSHR (0.95) TSHRSMN1; SMN2CA2MAPK1ALDH1A1
Methane SCHEMBL21143001 0.91 TSHR (0.95) TSHRSMN1; SMN2CA2MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL5166853 0.91 TSHR (0.95) TSHRSMN1; SMN2CA2MAPK1ALDH1A1
SCHEMBL362090 0.91 TSHR (0.95) TSHRSMN1; SMN2CA2MAPK1ALDH1A1

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-109219644-A photoinitiator and curable composition 爱克发有限公司 2019-01-15 CN claimed
CN-107111225-A Actinic radiation curable polymer mixtures, cured polymer mixtures, and related methods 普利司通美国轮胎运营有限责任公司 2017-08-29 CN claimed
CN-110167667-A Microcapsules 西姆莱斯股份公司 2019-08-23 CN disclosed
CN-107530269-A Stable dispersion 西姆莱斯股份公司 2018-01-02 CN disclosed
CN-107427422-A Fragrant agent dispersion for detergent composition 西姆莱斯股份公司 2017-12-01 CN disclosed
CN-103561717-B Method for producing cosmetic, method for producing gel for cosmetic, and method for reducing amount of polymer thickener added to cosmetic raw material 日产化学工业株式会社 2016-09-14 CN disclosed