SCHEMBL8790971

SCHEMBL8790971

CCOC(=O)C(C)(C)C1CCN(C(=O)[C@H](C)N)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
SMYD3 Q9H7B4 10/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36

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
SCHEMBL8790644 0.84 SMYD3 (0.39) SMYD3MEN1KMT2A
SCHEMBL2319139 0.81 GAA (0.41) GAAMAPTMEN1KMT2ANOS3
SCHEMBL8790345 0.80 SMN1; SMN2 (0.47) SMYD3DPP4CYP2C19
SCHEMBL2862448 0.80 GAA (0.45) GAAMAPTKDM4EMEN1KMT2A
SCHEMBL8791961 0.79 CYP2D6 (0.41) SMYD3MEN1KMT2ADPP4DPP8
SCHEMBL18979956 0.77 GAA (0.37) GAAMAPT
SCHEMBL19995830 0.77 HPGD (0.48) GAAMAPTKDM4EMEN1KMT2A
SCHEMBL7139016 0.77 MAPT (0.63) GAAMAPTKDM4EMEN1KMT2A
SCHEMBL25553449 0.76 SMN1; SMN2 (0.43) GAAMAPTKDM4E
SCHEMBL28429967 0.75 GAA (0.43) GAAMAPTMEN1KMT2ANOS3

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
EP-0800516-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1997-10-15 EP disclosed