Benzene

Benzene

SCHEMBL28091973

C=CC.CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC.c1ccccc1

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.82
TSHR P16473 6/20 0.82
LMNA P02545 3/20 0.82
CYP3A4 P08684 3/20 0.79
MAPK1 P28482 3/20 0.79
TP53 P04637 1/20 0.79
L3MBTL1 Q9Y468 3/20 0.71
TDP1 Q9NUW8 2/20 0.71
KDM4E B2RXH2 3/20 0.67
HSD17B10 Q99714 2/20 0.67
POLB P06746 1/20 0.67
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CNR2 P34972 1/20 0.53
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
Propene SCHEMBL27266744 0.98 ALDH1A1 (0.84) ALDH1A1TSHRLMNACYP3A4MAPK1
Propene SCHEMBL28859119 0.97 ALDH1A1 (0.82) ALDH1A1TSHRLMNACYP3A4MAPK1
Naphthalene SCHEMBL28202258 0.94 ALDH1A1 (0.77) ALDH1A1TSHRLMNACYP3A4MAPK1
Acrylic Acid SCHEMBL27677837 0.93 ALDH1A1 (0.79) ALDH1A1TSHRLMNACYP3A4MAPK1
Benzene SCHEMBL27600976 0.92 ALDH1A1 (0.90) ALDH1A1TSHRLMNACYP3A4MAPK1
Hydrogen Peroxide SCHEMBL27884113 0.92 ALDH1A1 (0.96) ALDH1A1TSHRLMNACYP3A4MAPK1
Benzene SCHEMBL27312708 0.92 ALDH1A1 (0.96) ALDH1A1TSHRLMNACYP3A4MAPK1
Vinyl Chloride SCHEMBL7578480 0.91 ALDH1A1 (0.82) ALDH1A1TSHRLMNACYP3A4MAPK1
Benzene SCHEMBL28838429 0.91 ALDH1A1 (0.93) ALDH1A1TSHRLMNACYP3A4MAPK1
Benzene SCHEMBL28837135 0.91 ALDH1A1 (0.93) ALDH1A1TSHRLMNACYP3A4MAPK1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107312328-B A kind of method that solid state shear prepares polymer grafting carbon nanomaterial 天津工业大学 2019-12-03 CN claimed
CN-110406284-A A kind of manufacture craft of sun-proof gilding film YANGZHOU HIEXCEL ADVANCED MAT CO LTD 2019-11-05 CN claimed
CN-106604948-B For generating the technique of poly- (terephthalic acid (TPA) propylene diester) comprising low-level by-product SK化学株式会社 2018-11-27 CN claimed
CN-107446271-A A kind of new technology for preparing explosion-proof type high-strength structure power pipe 安徽盛华管业有限公司 2017-12-08 CN claimed
CN-107312328-A A kind of solid state shear prepares the method that polymer is grafted carbon nanomaterial 天津工业大学 2017-11-03 CN claimed
CN-106460270-B Thermostabilization meltblown fibers web comprising multi-layer fiber 3M创新有限公司 2019-11-12 CN disclosed
CN-110406284-A A kind of manufacture craft of sun-proof gilding film YANGZHOU HIEXCEL ADVANCED MAT CO LTD 2019-11-05 CN disclosed
CN-110360467-A Electronic printing circuit board encapsulation and component in mould 科思创有限公司 2019-10-22 CN disclosed
CN-109137137-B Elastic composite fiber and manufacturing method thereof 上海海凯生物材料有限公司 2019-10-18 CN disclosed
CN-107109040-B Polytrimethylene terephthalate composition, polyester fiber and its manufacturing method 帝人富瑞特株式会社 2019-06-28 CN disclosed
CN-107001245-B Novel carbodiimide, its production method and purposes 朗盛德国有限责任公司 2019-04-23 CN disclosed
CN-109137137-A Elastic composite fiber and manufacturing method thereof 上海海凯生物材料有限公司 2019-01-04 CN disclosed
CN-104903102-B Stack membrane 东丽株式会社 2017-12-19 CN disclosed
CN-107446271-A A kind of new technology for preparing explosion-proof type high-strength structure power pipe 安徽盛华管业有限公司 2017-12-08 CN disclosed
CN-107109040-A Polytrimethylene terephthalate composition, polyester fiber and its manufacture method 帝人株式会社 2017-08-29 CN disclosed
CN-104837626-B Resin film and resin film composite decorating board 东洋钢钣株式会社 2017-08-18 CN disclosed
CN-107001245-A Novel carbodiimide, its production method and purposes 朗盛德国有限责任公司 2017-08-01 CN disclosed
CN-105332085-B A kind of Mesoporous zirconium phosphate loading nano silvery anti-bacterial fibre and preparation method thereof 东华大学 2017-06-30 CN disclosed
CN-106460270-A Thermally stable meltblown web comprising multilayer fibers 3M创新有限公司 2017-02-22 CN disclosed
CN-105874295-A Method for manufacturing total heat exchanger element, and total heat exchanger element 东丽株式会社 2016-08-17 CN disclosed