SCHEMBL28547221

SCHEMBL28547221

NC(=O)OCCOCCOCCN1C(=O)C=CC1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.69
FAAH O00519 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40
WRN Q14191 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 2/20 0.39
HSP90AA1 P07900 2/20 0.39
TLR9 Q9NR96 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 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
SCHEMBL19493077 1.00 MGLL (0.69) MGLLFAAHALDH1A1HPGDCYP1A2
SCHEMBL10067465 0.89 MGLL (0.55) MGLLFAAHALDH1A1HPGDCYP1A2
SCHEMBL9736882 0.83 MGLL (0.65) MGLLFAAHALDH1A1HPGDCYP1A2
SCHEMBL15483488 0.83 MGLL (1.00) MGLLFAAHALDH1A1HPGDBLM
SCHEMBL15082420 0.83 MGLL (1.00) MGLLFAAHALDH1A1HPGDBLM
SCHEMBL30009171 0.83 MGLL (1.00) MGLLFAAHALDH1A1HPGDBLM
SCHEMBL140275 0.83 MGLL (1.00) MGLLFAAHALDH1A1HPGDBLM
SCHEMBL9643398 0.83 MGLL (1.00) MGLLFAAHALDH1A1HPGDBLM
SCHEMBL349749 0.83 MGLL (1.00) MGLLFAAHALDH1A1HPGDBLM
SCHEMBL24164310 0.83 MGLL (0.69) MGLLFAAHALDH1A1HPGDCYP1A2

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-114917361-A Antibody Drug Conjugates (ADC) and antibody prodrug conjugates (APDC) with enzyme cleavable groups 拜耳医药股份有限公司 2022-08-19 CN disclosed
CN-107635586-B Antibody-drug conjugates (ADC) of KSP inhibitors with aglycosylated anti-TWEAKR antibodies 拜耳医药股份有限公司 2021-09-24 CN disclosed
CN-106163568-B Antibody Drug Conjugates (ADC) containing spindle Kinesin (KSP) 拜耳制药股份公司 2021-03-23 CN disclosed