SCHEMBL25353243

SCHEMBL25353243

CC(C)(C)OC(=O)NCCCCCCNC(CCCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
GAA P10253 1/20 0.69
TDP1 Q9NUW8 2/20 0.59
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
CA1 P00915 6/20 0.49
CA2 P00918 6/20 0.49
CA12 O43570 4/20 0.49
CA9 Q16790 4/20 0.49
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ACE P12821 1/20 0.45
ATM Q13315 1/20 0.44
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
SUCNR1 Q9BXA5 4/20 0.42
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41

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
SCHEMBL25353238 1.00 MEN1 (0.69) MEN1KMT2AGAATDP1MAOA
SCHEMBL31040386 0.97 MEN1 (0.65) MEN1KMT2AGAATDP1MAOA
SCHEMBL31325605 0.91 MEN1 (0.65) MEN1KMT2AGAATDP1MAOA
SCHEMBL26789194 0.88 MEN1 (0.61) MEN1KMT2AGAATDP1MAOA
SCHEMBL29107778 0.87 MEN1 (0.60) MEN1KMT2AGAATDP1MAOA
SCHEMBL14535129 0.87 MEN1 (0.60) MEN1KMT2AGAATDP1MAOA
SCHEMBL8231987 0.87 MEN1 (0.60) MEN1KMT2AGAATDP1MAOA
SCHEMBL21702752 0.87 MEN1 (0.63) MEN1KMT2AGAATDP1MAOA
SCHEMBL16760305 0.86 MEN1 (0.71) MEN1KMT2AGAATDP1MAOA
SCHEMBL12238298 0.86 MEN1 (0.71) MEN1KMT2AGAATDP1MAOA

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
WO-2023154818-A1 MUCOSAL ADMINISTRATION METHODS AND FORMULATIONS MODERNATX, INC. (US) 2023-08-17 WO disclosed
WO-2023076598-A1 LIPID AMINES MODERNATX, INC. (US) 2023-05-04 WO disclosed