SCHEMBL8949863

SCHEMBL8949863

CCOC(=O)C1=C(C(C)C)NC(C2CCCCC2)=C(C(=O)OCCC#N)C1c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 2/20 0.39
CACNA1D Q01668 2/20 0.39
CACNA1S Q13698 2/20 0.39
CACNA1C Q13936 2/20 0.39
ADORA3 P0DMS8 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.37
HTR7 P34969 1/20 0.37
POLB P06746 1/20 0.37
ACHE P22303 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCC1 P33527 1/20 0.36
TP53 P04637 1/20 0.36
BCHE P06276 1/20 0.35
HRH4 Q9H3N8 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
SCHEMBL8949606 0.86 CACNA1F (0.48) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL2647704 0.78 CACNA1F (0.56) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL8949928 0.77 KDM4E (0.53) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL27310185 0.74 CACNA1F (0.52) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL6953463 0.74 ALDH1A1 (0.52) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL2649180 0.73 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL8949808 0.73 CACNA1D (0.51) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL2662903 0.73 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL8949905 0.72 GCGR (0.41) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL2648819 0.71 CACNA1F (0.70) CACNA1FCACNA1DCACNA1SCACNA1CADORA3

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
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-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-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