SCHEMBL17844155

SCHEMBL17844155

[Li]C(C)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 3/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALOX15 P16050 1/20 0.46
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
CYP3A4 P08684 1/20 0.44
KCNN4 O15554 4/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2B6 P20813 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 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
SCHEMBL3082162 0.81 MAPK1 (0.50) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL5246127 0.75 TAAR1 (0.46) MAPK1ALDH1A1TAAR1ALOX15ESR1
Tert-Butylbenzene SCHEMBL18889 0.73 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL8982011 0.73 KCNN4 (0.47) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL14910456 0.73 ESR1 (0.70) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL35881 0.73 ESR1 (0.70) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL96177 0.73 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
Tert-Butylbenzene SCHEMBL22264599 0.73 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
Tert-Butylbenzene SCHEMBL22264597 0.73 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
Tert-Butylbenzene SCHEMBL337648 0.73 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108824-A The method and such block copolymer of the synthesis of block copolymer of the control comprising at least one non-polar blocks and at least one polar block pass through directly from the purposes being assembled in during nano-photoetching is applied 阿科玛法国公司 2017-08-29 CN claimed
CN-118165188-A Active polymer microsphere and preparation method thereof based on active anionic polymerization induced self-assembly 清华大学 2024-06-11 CN disclosed
CN-114716616-B Active polymer microsphere and preparation method thereof 清华大学 2024-03-12 CN disclosed
CN-114644738-B Active nano emulsion and preparation method thereof 清华大学 2023-07-14 CN disclosed
CN-111868098-B Method for producing conjugated diene rubber 日本瑞翁株式会社 2022-12-23 CN disclosed
CN-115135714-A Resin composition and molded article 株式会社可乐丽 2022-09-30 CN disclosed
CN-114716616-A Active polymer microsphere and preparation method thereof 清华大学 2022-07-08 CN disclosed
CN-114644738-A Active nano latex and preparation method thereof 清华大学 2022-06-21 CN disclosed
CN-110857344-B Modified conjugated diene polymer composition, rubber composition, and method for producing rubber composition 旭化成株式会社 2022-04-15 CN disclosed
CN-109627382-B Conjugated diene polymer, composition thereof, and method for producing same 台橡股份有限公司 2022-03-18 CN disclosed
CN-109627359-B Modified rubber containing silicon and phosphorus, composition and manufacturing method thereof 台橡股份有限公司 2021-11-19 CN disclosed
CN-109923152-B Method for producing conjugated diene rubber 日本瑞翁株式会社 2021-09-14 CN disclosed
CN-111542557-A Conjugated diene rubber 日本瑞翁株式会社 2020-08-14 CN disclosed
CN-110857344-A Modified conjugated diene polymer composition, rubber composition, and method for producing rubber composition 旭化成株式会社 2020-03-03 CN disclosed
CN-106103518-B Method for producing conjugated diene rubber 日本瑞翁株式会社 2020-01-14 CN disclosed
CN-107108824-A The method and such block copolymer of the synthesis of block copolymer of the control comprising at least one non-polar blocks and at least one polar block pass through directly from the purposes being assembled in during nano-photoetching is applied 阿科玛法国公司 2017-08-29 CN disclosed
WO-2016097574-A1 METHOD FOR CONTROLLING THE SYNTHESIS OF A BLOCK COPOLYMER CONTAINING AT LEAST ONE APOLAR BLOCK AND AT LEAST ONE POLAR BLOCK AND USE OF SUCH A BLOCK COPOLYMER IN APPLICATIONS OF NANOLITHOGRAPHY BY DIRECT SELF-ASSEMBLY ARKEMA FRANCE (FR) 2016-06-23 WO disclosed