SCHEMBL9359332

SCHEMBL9359332

CCOC(=O)OC1=C(Cc2ccccc2)NC(C(C)C)=C(OC(=O)OCC)C1c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
MAPT P10636 6/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
CCR6 P51684 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
TP53 P04637 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
ACHE P22303 2/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL9359818 0.87 CACNA1F (0.42) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL9363639 0.86 CACNA1D (0.41) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL6949791 0.86 CACNA1F (0.46) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL9359615 0.85 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL6958489 0.84 CACNA1D (0.39) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL9359608 0.84 EPHX2 (0.41) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL8950009 0.82 CACNA1F (0.46) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL9359378 0.81 ADORA3 (0.47) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL6956368 0.78 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL9369030 0.74 CACNA1F (0.49) CACNA1FCACNA1DCACNA1SCACNA1CMAPT

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