SCHEMBL6955155

SCHEMBL6955155

COC(=O)C1=C(C)NC(C)=C(C(=O)OCC2CCCO2)C1c1cccc(F)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.80
KMT2A Q03164 4/20 0.65
L3MBTL1 Q9Y468 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 6/20 0.56
GAA P10253 4/20 0.56
HPGD P15428 3/20 0.52
TSHR P16473 3/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
HSD17B10 Q99714 2/20 0.52
GLA P06280 1/20 0.52
RAD52 P43351 1/20 0.52
RAB9A P51151 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 2/20 0.50
CACNA1B Q00975 1/20 0.50

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
SCHEMBL6958389 0.90 POLB (0.81) POLBKMT2AL3MBTL1NPSR1SMN1; SMN2
SCHEMBL6959316 0.89 POLB (0.80) POLBKMT2AL3MBTL1NPSR1SMN1; SMN2
SCHEMBL6956017 0.88 POLB (0.79) POLBKMT2AL3MBTL1NPSR1SMN1; SMN2
SCHEMBL6960340 0.88 POLB (0.76) POLBKMT2AL3MBTL1NPSR1SMN1; SMN2
SCHEMBL6947789 0.87 POLB (0.77) POLBKMT2AL3MBTL1NPSR1SMN1; SMN2
SCHEMBL6954033 0.86 POLB (0.76) POLBKMT2AL3MBTL1NPSR1SMN1; SMN2
SCHEMBL7132512 0.85 POLB (0.75) POLBKMT2ATSHRMAPK1MEN1
SCHEMBL6954075 0.84 POLB (0.93) POLBKMT2AL3MBTL1NPSR1SMN1; SMN2
SCHEMBL7885845 0.81 ADORA3 (0.59) POLBKMT2AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL6955134 0.81 POLB (0.68) POLBKMT2ATSHRMAPK1MEN1

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-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP disclosed
US-6482841-B1 Pyridyl compounds and pharmaceutical compositions containing them CERMOL S.A. (CH) 2002-11-19 US disclosed