SCHEMBL4755628

SCHEMBL4755628

CCOC(=O)/C=C(/CC)NC(=O)C1CCC(C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
RECQL P46063 1/20 0.33
POLB P06746 2/20 0.32
TP53 P04637 2/20 0.32
ALOX15 P16050 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
EPHX2 P34913 1/20 0.32
GAA P10253 3/20 0.31
HIF1A Q16665 1/20 0.31
MEN1 O00255 1/20 0.31
PRNP P04156 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4755633 1.00 NPSR1 (0.38) NPSR1RAB9ALMNAPTGDR2RECQL
SCHEMBL4753739 0.76 ESR1 (0.32) PTGDR2POLBMAPTALDH1A1GAA
SCHEMBL4753740 0.76 ESR1 (0.32) PTGDR2POLBMAPTALDH1A1GAA
SCHEMBL4753774 0.73 SMN1; SMN2 (0.38) PTGDR2POLBPI4KBKMT2A
SCHEMBL4753772 0.73 SMN1; SMN2 (0.38) PTGDR2POLBPI4KBKMT2A
SCHEMBL6058686 0.73 MAPT (0.50) RECQLPOLBMAPTALDH1A1MEN1
SCHEMBL28548543 0.73 GAA (0.37) NPSR1RAB9ARECQLPOLBTP53
SCHEMBL28548541 0.73 GAA (0.37) NPSR1RAB9ARECQLPOLBTP53
SCHEMBL13713079 0.71 NPSR1 (0.47) NPSR1LMNATP53ALOX15MAPT
SCHEMBL20100423 0.70 GLA (0.34) RAB9APTGDR2POLBPI4KBALDH1A1

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-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO disclosed