SCHEMBL28543783

SCHEMBL28543783

O=C(NCCCOC(=O)c1ccccc1)OC(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.64
LMNA P02545 2/20 0.51
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
HPGD P15428 2/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL28541917 0.91 TDP1 (0.53) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL28554560 0.90 TDP1 (0.58) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL28551024 0.87 LMNA (0.50) TDP1LMNAKMT2AALDH1A1POLB
SCHEMBL9801767 0.87 HDAC3 (0.51) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL28546668 0.86 LMNA (0.49) TDP1LMNAKMT2AALDH1A1POLB
SCHEMBL27544808 0.84 TDP1 (0.68) TDP1LMNAALDH1A1POLBHPGD
SCHEMBL5579337 0.83 BCHE (0.45) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL11280450 0.83 BCHE (0.57) LMNASMN1; SMN2HTT
SCHEMBL28537066 0.81 MAPT (0.53) TDP1LMNAKMT2AALDH1A1POLB
SCHEMBL7896669 0.81 POLB (0.51) TDP1POLBHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109553703-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-04-13 CN disclosed
CN-109553706-B Catalyst component for olefin polymerization, catalyst and application 中国石油化工股份有限公司 2021-04-13 CN disclosed
CN-109553711-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-04-13 CN disclosed