SCHEMBL22011478

SCHEMBL22011478

CCOC(=O)CN(C(=O)C(C)(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 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 0.36
HSD11B1 P28845 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
GLS O94925 1/20 0.35
EPHX1 P07099 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 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
SCHEMBL28604432 0.97 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL24220741 0.91 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL28919216 0.91 HPGD (0.43) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL24220807 0.89 MEN1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL28607247 0.89 MEN1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL22011473 0.89 MEN1 (0.45) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL24220724 0.88 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL22010658 0.88 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL28604431 0.88 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL21964077 0.87 L3MBTL1 (0.42) ALDH1A1MEN1KMT2AMAPTHPGD

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-2020099882-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2020-05-22 WO disclosed