SCHEMBL28607247

SCHEMBL28607247

CCOC(=O)CN(C(=O)N1CCCC1)C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
USP30 Q70CQ3 4/20 0.37
PREP P48147 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
GLS O94925 1/20 0.35
EPHX1 P07099 1/20 0.34

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
SCHEMBL24220807 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22011478 0.89 ALDH1A1 (0.43) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL28604432 0.88 ALDH1A1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL24220741 0.87 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL28597530 0.86 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL28597529 0.86 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL24220733 0.86 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL28594993 0.86 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22010658 0.83 ALDH1A1 (0.39) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL28604431 0.83 ALDH1A1 (0.39) MEN1KMT2AALDH1A1MAPTHPGD

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-113227091-A As AM2Heterocyclic spiro-compounds as receptor inhibitors 谢菲尔德大学 2021-08-06 CN disclosed