SCHEMBL9359608

SCHEMBL9359608

CCOC(=O)OC1=C(c2ccccc2)NC(C(C)C)=C(OC(=O)OCC)C1c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
BCHE P06276 2/20 0.40
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA7 P43166 4/20 0.38
CA9 Q16790 4/20 0.38
ADORA3 P0DMS8 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
ACHE P22303 2/20 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
SCHEMBL6949791 0.88 CACNA1F (0.46) BCHECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6958489 0.88 CACNA1D (0.39) EPHX2BCHECACNA1FCACNA1DCACNA1S
SCHEMBL9359332 0.84 CACNA1F (0.38) BCHECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9359378 0.83 ADORA3 (0.47) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9359818 0.83 CACNA1F (0.42) BCHECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9363639 0.82 CACNA1D (0.41) CACNA1FCACNA1DCACNA1SCACNA1CCA12
SCHEMBL8949608 0.81 EPHX2 (0.51) EPHX2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6956368 0.80 CACNA1F (0.40) BCHECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9359615 0.80 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CSMN1; SMN2
SCHEMBL10518260 0.80 SMN1; SMN2 (0.47) EPHX2BCHECACNA1FCACNA1DCACNA1S

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-0325129-B1 Disubstituted pyridines BAYER AG (DE) 1994-09-07 EP disclosed
EP-0325129-A2 Disubstituted pyridines BAYER AG (DE) 1989-07-26 EP disclosed