SCHEMBL28670693

SCHEMBL28670693

O=C(O)CC(O)(CC(=O)OC(=O)c1ccc(F)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SLC13A5 Q86YT5 4/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
KDM4E B2RXH2 4/20 0.37
LMNA P02545 4/20 0.37
MAPK1 P28482 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
HTT P42858 2/20 0.37
TP53 P04637 2/20 0.37
CYP2C9 P11712 2/20 0.37
GMNN O75496 1/20 0.37
ESR1 P03372 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37

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
SCHEMBL2307577 0.88 ALDH1A1 (0.47) ALDH1A1SLC13A5MEN1KMT2AKDM4E
SCHEMBL28687971 0.87 ALDH1A1 (0.46) ALDH1A1SLC13A5MEN1KMT2AKDM4E
SCHEMBL2852481 0.87 ALDH1A1 (0.46) ALDH1A1SLC13A5MEN1KMT2AKDM4E
SCHEMBL2773015 0.86 ALDH1A1 (0.48) ALDH1A1SLC13A5MEN1KMT2AKDM4E
SCHEMBL28676230 0.85 ALDH1A1 (0.44) ALDH1A1SLC13A5MEN1KMT2AKDM4E
SCHEMBL10397330 0.85 ALDH1A1 (0.47) ALDH1A1SLC13A5MEN1KMT2AKDM4E
SCHEMBL28689323 0.83 PKM (0.43) ALDH1A1SLC13A5MEN1KMT2AKDM4E
SCHEMBL8966553 0.83 SLC13A5 (0.55) ALDH1A1SLC13A5MEN1KMT2AKDM4E
SCHEMBL28678373 0.83 CA1 (0.46) ALDH1A1SLC13A5MEN1KMT2AKDM4E
SCHEMBL8010869 0.82 CA12 (0.46) ALDH1A1MEN1KMT2AKDM4ELMNA

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-119331144-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油天然气股份有限公司 2025-01-21 CN disclosed
CN-107417819-B Solid catalyst component for olefin polymerization, catalyst and application thereof 北京利和知信科技有限公司 2021-11-16 CN disclosed
CN-109280112-B Catalyst composition suitable for propylene homopolymerization or copolymerization 任丘市利和科技发展有限公司 2021-06-08 CN disclosed