SCHEMBL28289355

SCHEMBL28289355

CC(=O)CC(=O)CC(=O)O.O=[Ti]=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 4/20 0.54
KDM2A Q9Y2K7 4/20 0.54
KDM4E B2RXH2 2/20 0.54
KDM5C P41229 2/20 0.54
EGLN1 Q9GZT9 2/20 0.54
KDM6B O15054 1/20 0.54
LDHA P00338 1/20 0.40
SRR Q9GZT4 1/20 0.40
LMNA P02545 1/20 0.38
SLC15A2 Q16348 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.32
FFAR3 O14843 2/20 0.32
GLRA1 P23415 1/20 0.32
SLC6A9 P48067 1/20 0.32
OR51E2 Q9H255 1/20 0.32

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
SCHEMBL321597 0.92 EGLN1 (0.62) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL28887 0.92 EGLN1 (0.62) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL1774230 0.89 EGLN1 (0.59) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL28832780 0.89 EGLN1 (0.59) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL28977856 0.89 EGLN1 (0.59) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL28078303 0.80 KDM4E (0.50) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL235434 0.80 KDM4E (0.58) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL3519320 0.76 KDM4E (0.55) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL28706026 0.76 KDM4E (0.55) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL10936077 0.76 KDM4E (0.55) PHF8KDM2AKDM4EKDM5CEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105263498-B Sai Nikeweiluo composition and its preparation and application 妥必徕疗治公司 2019-04-26 CN disclosed