SCHEMBL26323734

SCHEMBL26323734

CC(C)(C)OC(=O)NCCC(N)c1ccc(CCO)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.45
CA1 P00915 6/20 0.45
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
NAMPT P43490 1/20 0.42
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CTSK P43235 2/20 0.39
CTSS P25774 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
IDO1 P14902 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MAPT P10636 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL3652339 0.83 DRD2 (0.48) CA2CA1TDP1MEN1GAA
SCHEMBL5268980 0.83 GAA (0.44) CA2CA1TDP1MEN1GAA
SCHEMBL10317785 0.83 MEN1 (0.50) CA2CA1MEN1GAAKMT2A
SCHEMBL10317783 0.83 MEN1 (0.50) CA2CA1MEN1GAAKMT2A
SCHEMBL10318441 0.83 MEN1 (0.50) CA2CA1MEN1GAAKMT2A
SCHEMBL20768558 0.82 MEN1 (0.47) CA2CA1TDP1MEN1GAA
SCHEMBL25495785 0.81 CA2 (0.47) CA2CA1TDP1MEN1GAA
SCHEMBL19347754 0.81 PTPRB (0.42) CA2CA1MEN1GAAKMT2A
SCHEMBL26324983 0.78 MAPT (0.46) CA2CA1TDP1MEN1GAA
SCHEMBL19347431 0.78 MAPT (0.46) CA2CA1TDP1MEN1GAA

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
EP-4234552-A2 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF Raze Therapeutics, Inc. (US) 2023-08-30 EP disclosed