SCHEMBL28540461

SCHEMBL28540461

CC(C)(C)OOOOC(C)(C)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.70
ALDH1A1 P00352 4/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 3/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CYP3A4 P08684 1/20 0.35
KCNN4 O15554 4/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP2B6 P20813 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32

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
SCHEMBL29058028 0.86 MAPK1 (0.85) MAPK1ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL20578229 0.86 MAPK1 (0.85) MAPK1ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL22352 0.86 MAPK1 (0.85) MAPK1ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL1833534 0.86 MAPK1 (0.85) MAPK1ALDH1A1ALOX15TSHRHSD17B10
Benzene SCHEMBL25312146 0.83 MAPK1 (1.00) MAPK1ALDH1A1ALOX15TSHRTAAR1
SCHEMBL15450 0.83 MAPK1 (1.00) MAPK1ALDH1A1ALOX15TSHRTAAR1
SCHEMBL8939342 0.83 MAPK1 (1.00) MAPK1ALDH1A1ALOX15TSHRTAAR1
SCHEMBL27506519 0.83 MAPK1 (1.00) MAPK1ALDH1A1ALOX15TSHRTAAR1
Hydrogen Peroxide SCHEMBL22163808 0.80 MAPK1 (0.94) MAPK1ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL31655460 0.80 MAPK1 (0.94) MAPK1ALDH1A1ALOX15TSHRTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114644824-A Flame-retardant polyphenyl ether resin composition, copper-clad plate and preparation method thereof 洛阳尖端装备技术有限公司 2022-06-21 CN claimed
CN-113265126-A Fully-degradable long-chain branched polylactic acid and preparation method thereof 汕头市三马塑胶制品有限公司 2021-08-17 CN claimed
CN-113265127-A Full-bio-based full-degradable long-chain branched polylactic acid and preparation method thereof 汕头市三马塑胶制品有限公司 2021-08-17 CN claimed
CN-113265125-A Foaming-grade full-bio-based fully-degradable polylactic acid and preparation method thereof 汕头市三马塑胶制品有限公司 2021-08-17 CN claimed
CN-113265128-A Foaming-grade fully-degradable polylactic acid and preparation method thereof 汕头市三马塑胶制品有限公司 2021-08-17 CN claimed
CN-113861539-B Ethylene polymer, process for producing ethylene polymer, and film 住友化学株式会社 2024-04-05 CN disclosed
CN-115044322-A Packaging adhesive film for HJT and preparation method thereof 浙江帝龙光电材料有限公司 2022-09-13 CN disclosed
CN-114765981-A Polyethylene copolymers and products and processes thereof 布拉斯科有限公司 2022-07-19 CN disclosed
CN-114644824-A Flame-retardant polyphenyl ether resin composition, copper-clad plate and preparation method thereof 洛阳尖端装备技术有限公司 2022-06-21 CN disclosed
CN-114634713-A Resin composition, prepreg and metal-clad laminate 广东生益科技股份有限公司 2022-06-17 CN disclosed
CN-110114440-B Light-emitting resin composition for wavelength conversion, method for producing same, wavelength conversion member, and light-emitting element 富士胶片株式会社 2022-06-10 CN disclosed
CN-110326128-B Separator, lithium secondary battery comprising separator, and method for manufacturing same 株式会社LG化学 2022-03-01 CN disclosed
CN-113597439-A Novel polystyrene-based amphoteric polyelectrolytes having a maximum critical eutectic temperature and uses thereof 东曹精细化工株式会社 2021-11-02 CN disclosed
CN-112552610-A Sterilization-penetration-resistant glue-mixing protective cap for pre-filled and sealed injector and preparation method thereof 郑州大学 2021-03-26 CN disclosed