SCHEMBL28528598

SCHEMBL28528598

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
GAA P10253 1/20 0.56
TDP1 Q9NUW8 7/20 0.51
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
NPSR1 Q6W5P4 8/20 0.45
POLB P06746 3/20 0.45
ATM Q13315 2/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
MAPT P10636 5/20 0.41
ALDH1A1 P00352 1/20 0.40
PAX8 Q06710 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL28528596 1.00 MEN1 (0.56) MEN1KMT2AGAATDP1MAOA
SCHEMBL16517582 0.89 MEN1 (0.54) MEN1KMT2AGAATDP1MAOA
SCHEMBL28526406 0.89 TDP1 (0.50) MEN1KMT2AGAATDP1MAOA
SCHEMBL28526408 0.89 TDP1 (0.50) MEN1KMT2AGAATDP1MAOA
SCHEMBL21384171 0.84 MEN1 (0.48) MEN1KMT2AGAATDP1MAOA
SCHEMBL22711096 0.81 MEN1 (0.45) MEN1KMT2AGAATDP1MAOA
SCHEMBL15297619 0.81 MEN1 (0.45) MEN1KMT2AGAATDP1MAOA
SCHEMBL22711273 0.81 MEN1 (0.45) MEN1KMT2AGAATDP1MAOA
SCHEMBL10639200 0.79 MEN1 (0.71) MEN1KMT2AGAATDP1MAOA
SCHEMBL8183776 0.79 MEN1 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112236161-A Modulators of G protein-coupled receptors 卡莫特治疗学股份有限公司 2021-01-15 CN disclosed