SCHEMBL27949321

SCHEMBL27949321

NC(=O)OC(Cc1ccccc1)C(=O)CCl

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 3/20 0.51
PPARG P37231 12/20 0.44
PPARA Q07869 11/20 0.44
ACE P12821 1/20 0.44
EPHX1 P07099 1/20 0.44
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
PSAT1 Q9Y617 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
NCOA1 Q15788 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42

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
SCHEMBL10874175 1.00 SRR (0.51) SRRPPARGPPARAACEEPHX1
SCHEMBL28982634 0.83 SRR (0.58) SRRPPARGPPARAACEEPHX1
SCHEMBL7276245 0.83 PPARG (0.45) PPARGPPARAEPHX1
SCHEMBL7276239 0.83 PPARG (0.45) PPARGPPARAEPHX1
SCHEMBL15757776 0.81 LMNA (0.48) PPARGPPARAACEALDH1A1SMN1; SMN2
SCHEMBL7454107 0.81 SRR (0.51) SRRPPARGPPARAACEEPHX1
SCHEMBL7454461 0.81 SRR (0.51) SRRPPARGPPARAACEEPHX1
SCHEMBL7454095 0.81 SRR (0.51) SRRPPARGPPARAACEEPHX1
SCHEMBL395105 0.80 SRR (0.47) SRRPPARGPPARAACEEPHX1
SCHEMBL28336186 0.80 SRR (0.54) SRRPPARGPPARAACEEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113430240-B Method for synthesizing atazanavir intermediate chlorohydrin by continuous flow biocatalysis 华东理工大学 2023-07-04 CN claimed
CN-113249348-B Carbonyl reductase, gene thereof, recombinant expression transformant containing the gene and use thereof 华东理工大学 2023-06-23 CN claimed
CN-113430240-A Method for synthesizing atazanavir intermediate chlorohydrin by continuous flow biocatalysis 华东理工大学 2021-09-24 CN claimed
CN-113249348-A Carbonyl reductase, gene thereof, recombinant expression transformant containing gene and application of recombinant expression transformant 华东理工大学 2021-08-13 CN claimed
CN-107354179-B Method for preparing chiral compound containing hydroxyl 上海医药工业研究院 2021-02-19 CN claimed
CN-113430240-B Method for synthesizing atazanavir intermediate chlorohydrin by continuous flow biocatalysis 华东理工大学 2023-07-04 CN disclosed
CN-113430240-B Method for synthesizing atazanavir intermediate chlorohydrin by continuous flow biocatalysis 华东理工大学 2023-07-04 CN disclosed
CN-113249348-B Carbonyl reductase, gene thereof, recombinant expression transformant containing the gene and use thereof 华东理工大学 2023-06-23 CN disclosed
CN-113249348-B Carbonyl reductase, gene thereof, recombinant expression transformant containing the gene and use thereof 华东理工大学 2023-06-23 CN disclosed
CN-113430240-A Method for synthesizing atazanavir intermediate chlorohydrin by continuous flow biocatalysis 华东理工大学 2021-09-24 CN disclosed
CN-113430240-A Method for synthesizing atazanavir intermediate chlorohydrin by continuous flow biocatalysis 华东理工大学 2021-09-24 CN disclosed
CN-113249348-A Carbonyl reductase, gene thereof, recombinant expression transformant containing gene and application of recombinant expression transformant 华东理工大学 2021-08-13 CN disclosed
CN-113249348-A Carbonyl reductase, gene thereof, recombinant expression transformant containing gene and application of recombinant expression transformant 华东理工大学 2021-08-13 CN disclosed
CN-107354179-B Method for preparing chiral compound containing hydroxyl 上海医药工业研究院 2021-02-19 CN disclosed
CN-103468757-A Biological preparation method of intermediate of atazanavir ENZYMEWORKS INC 2013-12-25 CN disclosed