SCHEMBL6544816

SCHEMBL6544816

O=C(O)C(C=NO)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.38
ALDH1A1 P00352 2/20 0.35
DPP4 P27487 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
HTT P42858 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NLRP1 Q9C000 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
NPC1 O15118 3/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3964892 0.77 EPHX1 (0.41) EPHX1ALDH1A1DPP4SMN1; SMN2HTT
SCHEMBL5790763 0.77 EPHX1 (0.41) EPHX1ALDH1A1DPP4SMN1; SMN2HTT
SCHEMBL6544317 0.75 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ANPSR1GAA
SCHEMBL17651116 0.75 EPHX1 (0.40) EPHX1ALDH1A1DPP4SMN1; SMN2HTT
SCHEMBL7696325 0.75 EPHX1 (0.40) EPHX1ALDH1A1DPP4SMN1; SMN2HTT
SCHEMBL6545010 0.74 ALDH1A1 (0.43) EPHX1ALDH1A1CYP3A4MAPTNPSR1
SCHEMBL29598901 0.74 EPHX1 (0.38) EPHX1ALDH1A1DPP4SMN1; SMN2HTT
SCHEMBL6860576 0.72 EPHX1 (0.37) EPHX1ALDH1A1DPP4SMN1; SMN2HTT
SCHEMBL5716958 0.72 EPHX1 (0.38) EPHX1ALDH1A1DPP4SMN1; SMN2HTT
SCHEMBL5716953 0.72 EPHX1 (0.38) EPHX1ALDH1A1DPP4SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373186-A1 A PROCESS FOR THE PREPARATION OF CYCLIC AMINO ACIDS Solchem Italiana S.p.A (IT) 2004-01-02 EP claimed
WO-2002074727-A1 A PROCESS FOR THE PREPARATION OF CYCLIC AMINO ACIDS SOLCHEM ITALIANA S.P.A. (IT) 2002-09-26 WO claimed
EP-1373186-A1 A PROCESS FOR THE PREPARATION OF CYCLIC AMINO ACIDS Solchem Italiana S.p.A (IT) 2004-01-02 EP disclosed
WO-2002074727-A1 A PROCESS FOR THE PREPARATION OF CYCLIC AMINO ACIDS SOLCHEM ITALIANA S.P.A. (IT) 2002-09-26 WO disclosed