SCHEMBL31024460

SCHEMBL31024460

CC(C)(C)OC(=O)NCCCCNCCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
CA12 O43570 6/20 0.48
CA1 P00915 6/20 0.48
CA2 P00918 6/20 0.48
CA9 Q16790 6/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
MIF P14174 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.39
MAN2B1 O00754 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
SCHEMBL3056923 0.94 TDP1 (0.54) MAOAMAOBTDP1CA12CA1
SCHEMBL13451785 0.93 TDP1 (0.57) MAOAMAOBTDP1CA12CA1
SCHEMBL31024468 0.91 MAOA (0.50) MAOAMAOBTDP1CA12CA1
SCHEMBL14680159 0.91 TDP1 (0.59) MAOAMAOBTDP1CA12CA1
SCHEMBL29549866 0.91 TDP1 (0.59) MAOAMAOBTDP1CA12CA1
SCHEMBL31021600 0.87 TDP1 (0.48) MAOAMAOBTDP1CA12CA1
SCHEMBL31021588 0.86 TDP1 (0.50) MAOAMAOBTDP1CA12CA1
SCHEMBL1143295 0.85 TDP1 (0.49) MAOAMAOBTDP1CA12CA1
SCHEMBL18074376 0.83 TDP1 (0.72) MAOAMAOBTDP1CA12CA1
SCHEMBL31021612 0.82 TDP1 (0.44) MAOAMAOBTDP1CA12CA1

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-2024183821-A1 IONIZABLE LIPID MOLECULE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海吉量医药工程有限公司 2024-09-12 WO disclosed