SCHEMBL19069268

SCHEMBL19069268

CC(C)(C)NCCOCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 1/20 0.41
POLB P06746 1/20 0.38
EPHX2 P34913 1/20 0.37
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
CTH P32929 1/20 0.36
CBS P35520 1/20 0.36
THPO P40225 1/20 0.36
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 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
SCHEMBL22932423 0.96 KDM4E (0.47) KDM4EALDH1A1GAAPOLBEPHX2
SCHEMBL22932422 0.85 CYP2C19 (0.49) KDM4EALDH1A1GAAPOLBEPHX2
SCHEMBL17808690 0.83 CES2 (0.44) KDM4EALDH1A1GAAPOLBMEN1
SCHEMBL4547565 0.82 KDM4E (0.38) KDM4EALDH1A1GAAPOLBMEN1
SCHEMBL20224728 0.82 KDM4E (0.44) KDM4EALDH1A1GAAPOLBMEN1
SCHEMBL23664671 0.80 KDM4E (0.43) KDM4EALDH1A1GAAPOLBMEN1
SCHEMBL15697704 0.80 KDM4E (0.47) KDM4EALDH1A1GAAPOLBMEN1
SCHEMBL25729639 0.80 KDM4E (0.43) KDM4EALDH1A1GAAPOLBMEN1
SCHEMBL24311899 0.79 KDM4E (0.37) KDM4EALDH1A1GAAPOLBMEN1
SCHEMBL4402902 0.79 KDM4E (0.43) KDM4EALDH1A1GAAPOLBMEN1

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
US-9695170-B2 Naphthyridine derivatives as inhibitors of Hypoxia inducible factor (HIF) hydroxylase FIBROGEN, INC. (US) 2017-07-04 US disclosed