SCHEMBL29068720

SCHEMBL29068720

CN(CC(=O)O)NC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 3/20 0.39
KDM2A Q9Y2K7 3/20 0.39
KDM7A Q6ZMT4 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
EYA2 O00167 1/20 0.38
APP P05067 1/20 0.38
ACE P12821 1/20 0.38
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL13287140 0.82 PHF8 (0.38) PHF8KDM2AKDM7ATDP1EYA2
SCHEMBL28003253 0.80 KDM7A (0.37) PHF8KDM2AKDM7ATDP1EYA2
SCHEMBL31238927 0.77 KDM7A (0.34) PHF8KDM2AKDM7ATDP1EYA2
SCHEMBL8151293 0.77 KDM7A (0.34) PHF8KDM2AKDM7ATDP1EYA2
SCHEMBL5723840 0.76
SCHEMBL1558594 0.75 EPHX2 (0.34) PHF8KDM2AKDM7ATDP1EYA2
SCHEMBL28387882 0.70
SCHEMBL30589460 0.69 PHF8 (0.40) PHF8KDM2AKDM7ATDP1EYA2
SCHEMBL7818336 0.69 KDM4C (0.42) PHF8ALDH1A1KDM5C
SCHEMBL1526296 0.67

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-116745472-A Array of small molecules in a biopolymer crystal, soaking solution and method of selecting soaking conditions 克里斯托斯福斯特有限公司 2023-09-12 CN disclosed