SCHEMBL29023069

SCHEMBL29023069

CCOC(=O)C1CN(C(=O)OC(C)(C)C)C(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TSHR P16473 2/20 0.36
GLA P06280 2/20 0.35
TLR4 O00206 1/20 0.34
NR1H2 P55055 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD11B1 P28845 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL21818827 0.87 MAPT (0.42) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL28629106 0.87 MAPT (0.42) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL31503776 0.85 NR1H2 (0.38) ALDH1A1NFKB1NFKB2RELATSHR
SCHEMBL3195825 0.83 MAPT (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL18618384 0.80 MAPT (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL22620447 0.78 MAPT (0.41) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL17877348 0.78 MAPT (0.44) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2499021 0.77 MAPT (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL24275820 0.76 MAPT (0.42) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL28266908 0.76 HSD11B1 (0.39) MAPTKDM4EHSD17B10NFKB1NFKB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116348453-A Heteroaromatic carboxamide compounds and uses thereof 烨辉医药科技(上海)有限公司 2023-06-27 CN disclosed
WO-2022228302-A1 HETEROAROMATIC CARBOXAMIDE COMPOUNDS AND ITS USE BIONOVA PHARMACEUTICALS (SHANGHAI) LIMITED (CN) 2022-11-03 WO disclosed