SCHEMBL8949694

SCHEMBL8949694

COC(=O)C1=C(C)NC(C(C)C)=C(C(=O)O)C1c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 4/20 0.64
CACNA1D Q01668 4/20 0.64
CACNA1S Q13698 4/20 0.64
CACNA1C Q13936 4/20 0.64
TSHR P16473 3/20 0.51
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 4/20 0.50
KDM4E B2RXH2 4/20 0.50
HTT P42858 2/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ADORA3 P0DMS8 2/20 0.49
PTPN1 P18031 1/20 0.48
HPGD P15428 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 3/20 0.46
MAPT P10636 1/20 0.44

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
SCHEMBL9272854 0.87 CACNA1F (0.69) CACNA1FCACNA1DCACNA1SCACNA1CTSHR
SCHEMBL2648819 0.87 CACNA1F (0.70) CACNA1FCACNA1DCACNA1SCACNA1CTSHR
SCHEMBL6563525 0.86 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CTSHR
SCHEMBL2647640 0.84 CACNA1F (0.44) CACNA1FCACNA1DCACNA1SCACNA1CPTPN1
SCHEMBL7879285 0.84 CACNA1F (0.76) CACNA1FCACNA1DCACNA1SCACNA1CTSHR
SCHEMBL27310185 0.81 CACNA1F (0.52) CACNA1FCACNA1DCACNA1SCACNA1CTSHR
SCHEMBL3118761 0.80 CACNA1F (0.59) CACNA1FCACNA1DCACNA1SCACNA1CTSHR
SCHEMBL9744040 0.78 CACNA1F (0.45) CACNA1FCACNA1DCACNA1SCACNA1CTSHR
SCHEMBL9229958 0.77 CACNA1F (0.59) CACNA1FCACNA1DCACNA1SCACNA1CTSHR
SCHEMBL8949674 0.77 CACNA1F (0.53) CACNA1FCACNA1DCACNA1SCACNA1CTSHR

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 7 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
US-4968689-A Certain 2,6-diisopropyl-4-(4-fluoro-phenyl)-3,5-bis-dimethyl-3',5'-dihydroxy-hept-6-enoate-pyridine derivatives useful for treating lipoproteinaemia and arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed