SCHEMBL8949606

SCHEMBL8949606

CCOC(=O)C1=C(C(C)C)NC(C2CC2)=C(C(=O)OCC)C1c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
ABCC1 P33527 1/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.43
ACHE P22303 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42

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
SCHEMBL8949928 0.90 KDM4E (0.53) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL2647704 0.88 CACNA1F (0.56) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL8949863 0.86 CACNA1F (0.39) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL27310185 0.84 CACNA1F (0.52) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL8949808 0.83 CACNA1D (0.51) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL2662903 0.82 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL27365132 0.81 CACNA1F (0.38) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL2648819 0.81 CACNA1F (0.70) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL8949895 0.81 CACNA1D (0.49) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL6956368 0.81 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502057-A Polysubstituted pyridines useful for treating lipoproteinanaemia and arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
US-5470982-A Disubstituted pyridines BAYER AKTIENGESELLSCHAFT (DE) 1995-11-28 US disclosed
US-5401746-A FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND HMG-COA REDUCTASE BAYER AKTIENGESELLSCHAFT (DE) 1995-03-28 US disclosed
US-5173495-A 7-[(2,6-dialkyl-4-furyl or thienyl-pyridyl)]-3,5-di-(dihydroxy-6-enoates) useful for treating circulatory diseases BAYER AKTIENGESELLSCHAFT (DE) 1992-12-22 US disclosed
US-5169857-A Anticholesterol agents BAYER AKTIENGESELLSCHAFT (DE) 1992-12-08 US disclosed
US-5006530-A Certain 7-[2,6-diisopropyl-4-phenyl-5-lower alkoxymethyl-pyrid-3-yl]-3,5-dihydroxy-6-enoates and derivatives useful for treating circulatory diseases BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed