SCHEMBL6544317

SCHEMBL6544317

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.39
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.37
CYP2D6 P10635 1/20 0.35
METAP2 P50579 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
RECQL P46063 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
SCHEMBL6545010 0.83 ALDH1A1 (0.43) ALDH1A1NPSR1TSHRGAA
SCHEMBL3856521 0.81 ALDH1A1 (0.49) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL4371216 0.81 ALDH1A1 (0.49) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL13660805 0.80 ALDH1A1 (0.55) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL3455285 0.80 ALDH1A1 (0.47) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL7136670 0.80 ALDH1A1 (0.47) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL30436282 0.78 ALDH1A1 (0.52) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL31618367 0.76 ALDH1A1 (0.43) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL6544816 0.75 EPHX1 (0.38) ALDH1A1NPSR1KDM4EMEN1GAA
SCHEMBL660922 0.73 ALDH1A1 (0.54) ALDH1A1NPSR1TSHRL3MBTL1THRB

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
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