SCHEMBL7102142

SCHEMBL7102142

CC(C)(C)c1cc(CCC(=O)NN)c(O)c(C(C)(C)C)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.65
KMT2A Q03164 2/20 0.47
NR5A2 O00482 1/20 0.42
NR5A1 Q13285 1/20 0.42
ALDH1A1 P00352 3/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADAM17 P78536 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP2C19 P33261 3/20 0.37
HSPA5 P11021 1/20 0.37
CYP2C9 P11712 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
Hexane SCHEMBL28237971 0.94 GAA (0.58) GAAKMT2ANR5A2NR5A1ALDH1A1
SCHEMBL30641460 0.88 GAA (0.49) GAAKMT2ANR5A2NR5A1ALDH1A1
SCHEMBL7567813 0.88 GAA (0.49) GAAKMT2ANR5A2NR5A1ALDH1A1
SCHEMBL27877805 0.87 GAA (0.55) GAAKMT2AALDH1A1NPSR1ADAM17
SCHEMBL28136542 0.85 GAA (0.67) GAAKMT2ANR5A2NR5A1ALDH1A1
SCHEMBL27411813 0.84 GAA (0.46) GAAKMT2ANR5A2NR5A1ALDH1A1
SCHEMBL8606822 0.84 GAA (0.52) GAAKMT2ANR5A2NR5A1ALDH1A1
SCHEMBL27886338 0.84 GAA (0.43) GAAKMT2ANR5A2NR5A1ALDH1A1
SCHEMBL28285672 0.83 GAA (0.45) GAAKMT2ANR5A2NR5A1ALDH1A1
SCHEMBL8608270 0.83 GAA (0.45) GAAKMT2ANR5A2NR5A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107418097-B High temperature resistant polyvinyl chloride modifying material and preparation method 上海天原集团胜德塑料有限公司 2019-08-13 CN claimed
CN-108484434-B The synthesis technology of antioxidant 1024 江苏极易新材料有限公司 2019-03-26 CN claimed
CN-108912890-A Extend the construction technology of water pipe and electric wire service life 南京嘉怡装饰设计有限公司 2018-11-30 CN claimed
CN-108484434-A The synthesis technology of antioxidant 1024 江苏极易新材料有限公司 2018-09-04 CN claimed
CN-104927688-B The compound preparation method for turning light packaging adhesive film material of EVA/ vulcanized lead quantum dots 无锡市钱氏功能塑胶有限公司 2018-06-05 CN claimed
CN-107868443-A A kind of photosensitive resin material of 3D printing 惠州市优恒科三维材料有限公司 2018-04-03 CN claimed
CN-107793739-A A kind of long glass fiber reinforced polyketone material and preparation method thereof 合肥杰事杰新材料股份有限公司 2018-03-13 CN claimed
CN-107722330-A A kind of preparation method of efficient insulation agripast canopy film 成都新柯力化工科技有限公司 2018-02-23 CN claimed
CN-107573580-A A kind of method combined fire prevention thermal resistance and improve fireproofing and block burn of cable performance 汐畅信息咨询新沂有限公司 2018-01-12 CN claimed
CN-107573578-A A kind of preparation method of low temperature resistant flame resistance irradiation cross-linking low-smoke halogen-free CABLE MATERIALS 欧宝聚合物江苏有限公司 2018-01-12 CN claimed
CN-106589564-A Two-step process silane crosslinking low-smoke halogen-free flame-retarding polyolefin cable material and manufacturing method of same 上海新上化高分子材料有限公司 2017-04-26 CN claimed
CN-106084533-A A kind of cable is with ageing-resistant and have the protective cover material of excellent mechanical performance 繁昌县菲德通讯材料设计有限公司 2016-11-09 CN claimed
CN-104447395-A N,N'-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propionyl]hydrazine production method CHINA PETROLEUM & CHEMICAL 2015-03-25 CN claimed
CN-102838827-B Low-retraction silicane XLPE (Cross Linked Polyethylene) insulating material of 10 KV and below applicable to extrusion one-step method FAR EAST CABLE CO LTD 2014-07-16 CN claimed
CN-103554654-A Polypropylene composite material containing polyphosphate organic-inorganic compounded copper-inhibitor and preparation method of polypropylene composite material ZHEJIANG EXPO NEW MATERIALS CO LTD 2014-02-05 CN claimed
CN-103113704-A Preparation method of high temperature (110 DEG C) resistant silane naturally-crosslinked polyethylene cable material CHANGSHU ZHONGLIAN PHOTOELECTRIC NEW STUFF CO LTD 2013-05-22 CN claimed
CN-103102634-A Natural silane cross-linked polyethylene cable material capable of resisting 110 DEG C CHANGSHU ZHONGLIAN PHOTOELECTRIC NEW STUFF CO LTD 2013-05-15 CN claimed
CN-101993687-B Water-soluble anti-free radical stabilizer and preparation method thereof CHINA PETROLEUM & CHEMICAL 2013-02-06 CN claimed
CN-102876002-A Rapid molding high heat-resistant polyamide-polyphenyl ether alloy and preparation method thereof Cangnan county huifeng plastic co ltd 2013-01-16 CN claimed
US-5907129-A IMPROVED IN ELECTRICAL INSULATING PROPERTIES, ESPECIALLY IN WITHSTAND VOLTAGE AGAINST DIRECT CURRENT, ADDING A NITROGEN COMPOUND HAVING A SPECIFIC STRUCTURE TO SUCH STYRENIC POLYMER IDEMITSU KOSAN CO., LTD. (JP) 1999-05-25 US claimed