SCHEMBL23011663

SCHEMBL23011663

CC(=O)NCCC(=O)NC(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
MEN1 O00255 1/20 0.48
FAAH O00519 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.44
HIF1A Q16665 1/20 0.44
EPHX2 P34913 1/20 0.42
ACACB O00763 1/20 0.42
TSHR P16473 2/20 0.41
EPHX1 P07099 1/20 0.41
ADRA1A P35348 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.39
PAOX Q6QHF9 3/20 0.38
FOLH1 Q04609 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 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
SCHEMBL13853860 0.81 KMT2A (0.47) MAPK1MEN1FAAHKMT2AEPHX2
SCHEMBL22916892 0.81 KMT2A (0.47) MAPK1MEN1FAAHKMT2AKDM4E
SCHEMBL12643180 0.80 MEN1 (0.43) MAPK1MEN1FAAHKMT2AKDM4E
SCHEMBL20458026 0.80 MEN1 (0.47) MAPK1MEN1FAAHKMT2AKDM4E
SCHEMBL5909062 0.78 MEN1 (0.62) MAPK1MEN1FAAHKMT2AKDM4E
SCHEMBL10076774 0.77 MAPK1 (0.42) MAPK1MEN1FAAHKMT2AKDM4E
SCHEMBL12138292 0.77 MEN1 (0.52) MAPK1MEN1FAAHKMT2AKDM4E
SCHEMBL11923590 0.77 MEN1 (0.52) MAPK1MEN1FAAHKMT2AKDM4E
SCHEMBL12448069 0.77 EPHX1 (0.63) MAPK1KDM4EHIF1AEPHX2TSHR
SCHEMBL20938365 0.76 MEN1 (0.43) MAPK1MEN1FAAHKMT2AEPHX2

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
EP-4289857-A1 DRUG CONJUGATE OF GLUCOCORTICOID RECEPTOR AGONIST, AND APPLICATION THEREOF IN MEDICINE Shanghai Senhui Medicine Co., Ltd. (CN) 2023-12-13 EP disclosed
EP-3778573-A1 COMPOUND WITH ANTICANCER ACTIVITY Kyowa Kirin Co., Ltd. (JP) 2021-02-17 EP disclosed