SCHEMBL27299124

SCHEMBL27299124

CCOc1ccc(CC2CN(CC(=O)OC)CCN(CC(=O)O)CCN(CC(=O)O)CCN2CC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.41
FOLH1 Q04609 1/20 0.41
ACHE P22303 1/20 0.40
FAAH O00519 1/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL27146634 0.94 MEN1 (0.47) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL27166230 0.94 MEN1 (0.47) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL27299235 0.90 MEN1 (0.46) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL30804757 0.88 MEN1 (0.40) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL19590904 0.87 DPP4 (0.43) FOLH1
SCHEMBL27166221 0.86 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL27165218 0.86 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL27166255 0.85 MEN1 (0.48) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL27166229 0.84 KDM4E (0.40) MEN1KMT2AKDM4EFOLH1
SCHEMBL27166241 0.84 KDM4E (0.41) MEN1KMT2AKDM4EFOLH1

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
WO-2024052573-A1 COMBINATIONS OF CONTRAST AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO disclosed