SCHEMBL6960340

SCHEMBL6960340

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.76
CACNA1F O60840 1/20 0.65
CACNA1D Q01668 1/20 0.65
CACNA1S Q13698 1/20 0.65
CACNA1C Q13936 1/20 0.65
KDM4E B2RXH2 6/20 0.64
ALDH1A1 P00352 5/20 0.64
HPGD P15428 3/20 0.64
NPSR1 Q6W5P4 2/20 0.64
HTT P42858 1/20 0.64
KMT2A Q03164 4/20 0.62
L3MBTL1 Q9Y468 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
GUSB P08236 1/20 0.52
GAA P10253 4/20 0.51
TSHR P16473 2/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL6955155 0.88 POLB (0.80) POLBKDM4EALDH1A1HPGDNPSR1
SCHEMBL6958389 0.87 POLB (0.81) POLBKDM4EALDH1A1HPGDNPSR1
SCHEMBL6959316 0.86 POLB (0.80) POLBKDM4EALDH1A1HPGDNPSR1
SCHEMBL6956017 0.86 POLB (0.79) POLBCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6947789 0.85 POLB (0.77) POLBCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6954033 0.84 POLB (0.76) POLBKDM4EALDH1A1HPGDNPSR1
SCHEMBL7132512 0.83 POLB (0.75) POLBCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9503033 0.83 CACNA1F (0.80) POLBCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9022136 0.82 CACNA1F (0.79) POLBCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6954075 0.82 POLB (0.93) POLBKDM4EALDH1A1HPGDNPSR1

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-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
EP-1023267-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 2000-08-02 EP disclosed
WO-1999019302-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 1999-04-22 WO disclosed