SCHEMBL28118824

SCHEMBL28118824

C=C(Cl)C(C(C)=O)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
THRB P10828 1/20 0.34
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GLO1 Q04760 1/20 0.32
TRPA1 O75762 1/20 0.32
CASP1 P29466 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 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
SCHEMBL11580142 0.83 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL26302 0.82 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL123766 0.82 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL28190143 0.80 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL28436056 0.80 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL7065265 0.79 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL28266492 0.78 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL29866763 0.78 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL1012864 0.76 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL4983762 0.75 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10ALOX15MGAM

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-106749135-B Substituted benzofuran formyl hydrazone analog derivative and preparation method thereof 浙江大学 2019-07-19 CN claimed
CN-106279082-B Substituted furans chalcone derivative and preparation method thereof 浙江大学 2019-02-01 CN claimed
CN-106905340-B Benzofuran fluoro flavanone derivative and preparation method thereof 浙江大学 2019-02-01 CN claimed
CN-106279083-B A kind of furocoumarin analog derivative and preparation method thereof 浙江大学 2019-01-08 CN claimed
CN-106243126-B Substituted furans isoquinolines analog derivative and preparation method thereof 浙江大学 2018-09-18 CN claimed
CN-106243121-B Substituted furan-flavone alcohol derivatives and preparation method thereof 浙江大学 2018-07-13 CN claimed
CN-106336417-B Substituted furans isoflavonoid derivatives and preparation method thereof 浙江大学 2018-07-13 CN claimed
CN-106905340-A Benzofuran fluoro flavanone derivative and preparation method thereof 浙江大学 2017-06-30 CN claimed
CN-106749135-A Substituted benzofuran formyl hydrazone analog derivative and preparation method thereof 浙江大学 2017-05-31 CN claimed
CN-106336417-A Substituted furan isoflavone derivative and preparation method thereof 浙江大学 2017-01-18 CN claimed
CN-106336416-A Furan flavone derivative and preparation method thereof 浙江大学 2017-01-18 CN claimed
CN-110423228-A A method of preparing darunavir intermediate CHENGDU PORTON PHARMACY CO LTD 2019-11-08 CN disclosed
CN-107043385-B Method for preparing darunavir intermediate 成都博腾药业有限公司 2019-07-09 CN disclosed
CN-109956886-A (Z)-[(4- methoxyphenyl) hydrazono-] preparation method of ethyl chloroacetate 连云港恒运药业有限公司 2019-07-02 CN disclosed
CN-109400579-A A kind of Green production method of low cost lenalidomide 新发药业有限公司 2019-03-01 CN disclosed
CN-107043385-A Method for preparing darunavir intermediate 成都博腾药业有限公司 2017-08-15 CN disclosed
CN-106336417-A Substituted furan isoflavone derivative and preparation method thereof 浙江大学 2017-01-18 CN disclosed