SCHEMBL25934847

SCHEMBL25934847

COC(=O)CCc1c(CNC(=O)OC(C)(C)C)c(C)c(CNC(=O)OC(C)(C)C)c(C)c1CNC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TSHR P16473 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ HPGD P15428 2/20 0.34

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
SCHEMBL22535987 0.84 TDP1 (0.46) MAPK1MEN1GAAKMT2AKDM4E
SCHEMBL25952167 0.82 TDP1 (0.51) MEN1GAAKMT2AKDM4ELMNA
SCHEMBL25934819 0.78 TDP1 (0.37) MEN1GAAKMT2AKDM4ELMNA
SCHEMBL30662746 0.77 KDM4E (0.40) MAPK1MEN1GAAKMT2AKDM4E
SCHEMBL25934811 0.76 CA1 (0.37) TSHRMEN1GAAKMT2AKDM4E
SCHEMBL8130509 0.75 L3MBTL1 (0.50) MEN1GAAKMT2ANPSR1CA2
SCHEMBL20502594 0.74 KMT2A (0.39) MEN1GAAKMT2AKDM4ELMNA
SCHEMBL22535973 0.72 TDP1 (0.43) MEN1GAAKMT2AKDM4ELMNA
SCHEMBL6781372 0.71 GLS (0.53) KDM4A
SCHEMBL1256643 0.71 TDP1 (0.55) TSHRMEN1GAAKMT2AKDM4E

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-2023144545-A1 SACCHARIDE SENSING SYSTEMS Carbometrics Limited (GB) 2023-08-03 — — WO disclosed
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