SCHEMBL28547247

SCHEMBL28547247

CC(=O)OC(=O)OC(=O)c1ccccc1CN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 5/20 0.37
KDM4E B2RXH2 4/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 5/20 0.36
CFTR P13569 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
ESR1 P03372 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
HMGB1 P09429 1/20 0.34
HPGD P15428 1/20 0.34
GGT1 P19440 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL28551387 0.87 ALDH1A1 (0.45) ALDH1A1LMNATSHRKDM4EKMT2A
SCHEMBL28555481 0.83 ALDH1A1 (0.49) ALDH1A1LMNATSHRKDM4EKMT2A
SCHEMBL537039 0.78 ALDH1A1 (0.49) ALDH1A1LMNATSHRKDM4EHSD17B10
SCHEMBL1128064 0.78 ALDH1A1 (0.62) ALDH1A1LMNATSHRKDM4EKMT2A
SCHEMBL27988872 0.77 TSHR (0.37) ALDH1A1LMNATSHRKDM4EKMT2A
Hydrochloric Acid SCHEMBL25289042 0.76 ALDH1A1 (0.60) ALDH1A1LMNATSHRKDM4EKMT2A
Hydrochloric Acid SCHEMBL2159177 0.76 ALDH1A1 (0.60) ALDH1A1LMNATSHRKDM4EKMT2A
SCHEMBL20481943 0.76 ALDH1A1 (0.47) ALDH1A1LMNATSHRKDM4EHSD17B10
SCHEMBL20478154 0.76 ALDH1A1 (0.47) ALDH1A1LMNATSHRKDM4EHSD17B10
SCHEMBL20482006 0.76 ALDH1A1 (0.47) ALDH1A1LMNATSHRKDM4EHSD17B10

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 2 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