SCHEMBL21391227

SCHEMBL21391227

CCOC(=O)NC(C)(C)C(=O)NC(C)(C)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 3/20 0.38
PKM P14618 2/20 0.38
THRB P10828 1/20 0.37
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
HTT P42858 2/20 0.36
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.36
MMP8 P22894 1/20 0.35
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 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
SCHEMBL17450061 0.85 MMP8 (0.37) ALDH1A1KDM4EPKMTHRBGAA
SCHEMBL27693596 0.78 KDM4C (0.47) ALDH1A1LMNAHSD17B10KDM4EPKM
SCHEMBL13278855 0.78 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10KDM4EPKM
SCHEMBL7773591 0.76 GAA (0.39) ALDH1A1LMNAHSD17B10KDM4EPKM
SCHEMBL7773594 0.76 ALOX15 (0.44) ALDH1A1LMNAHSD17B10KDM4EPKM
Hydrochloric Acid SCHEMBL27676717 0.76 KDM4C (0.46) ALDH1A1LMNAHSD17B10KDM4EPKM
SCHEMBL10623261 0.75 GAA (0.42) ALDH1A1LMNAHSD17B10KDM4EPKM
SCHEMBL2757934 0.74 GAA (0.46) ALDH1A1LMNAHSD17B10KDM4EPKM
SCHEMBL9476910 0.74 GAA (0.46) ALDH1A1LMNAHSD17B10KDM4EPKM
SCHEMBL9117578 0.73 GAA (0.44) ALDH1A1LMNAHSD17B10KDM4EPKM

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-2019183270-A1 PUROMYCIN-BASED PROBES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-26 WO disclosed