SCHEMBL29778251

SCHEMBL29778251

CC(C)(C)OC(=O)NCCCNCCCNCCCN

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.62
▸ MAOB P27338 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.57
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ CA2 P00918 10/20 0.48
▸ CA1 P00915 9/20 0.48
▸ CA12 O43570 7/20 0.48
▸ CA9 Q16790 7/20 0.48
▸ PAOX Q6QHF9 1/20 0.43
▸ STK17B O94768 1/20 0.43
▸ STK17A Q9UEE5 1/20 0.43
▸ EPHX1 P07099 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ CASP2 P42575 2/20 0.40
▸ F13A1 P00488 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CA4 P22748 1/20 0.40

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
SCHEMBL12502050 1.00 MAOA (0.62) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL1419813 0.98 MAOA (0.65) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL19965900 0.98 MAOA (0.60) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL9726174 0.97 MAOA (0.68) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL10688506 0.97 MAOA (0.68) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL4730562 0.97 MAOA (0.67) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL1273886 0.95 MAOA (0.65) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL3290430 0.95 MAOA (0.56) MAOAMAOBTDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL8724041 0.95 MAOA (0.65) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL7203519 0.95 MAOA (0.64) MAOAMAOBTDP1MEN1KMT2A

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-2999345-B1 COMPOSITIONS AND METHODS COMPRISING A POLYAMINE CURZA GLOBAL LLC (US) 2022-08-10 — — EP disclosed
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