SCHEMBL8949928

SCHEMBL8949928

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
GAA P10253 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
ABCC1 P33527 1/20 0.51
CACNA1F O60840 1/20 0.49
CACNA1D Q01668 1/20 0.49
CACNA1S Q13698 1/20 0.49
CACNA1C Q13936 1/20 0.49
ACHE P22303 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
ADORA3 P0DMS8 3/20 0.46

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 0.90 CACNA1F (0.48) KDM4ELMNAALDH1A1HPGDGAA
SCHEMBL2649180 0.83 CACNA1F (0.50) KDM4ELMNAALDH1A1HPGDGAA
SCHEMBL6962855 0.82 HTT (0.41) KDM4ELMNAALDH1A1HPGDGAA
SCHEMBL3029762 0.82 KDM4E (0.76) KDM4ELMNAALDH1A1HPGDGAA
SCHEMBL2647704 0.77 CACNA1F (0.56) KDM4ELMNAALDH1A1HPGDGAA
SCHEMBL8949863 0.77 CACNA1F (0.39) KDM4ELMNAALDH1A1HPGDGAA
SCHEMBL9121468 0.76 SMN1; SMN2 (0.53) KDM4ELMNAALDH1A1HPGDGAA
SCHEMBL11521734 0.75 KDM4E (0.61) KDM4ELMNAALDH1A1HPGDGAA
SCHEMBL9120044 0.75 NPSR1 (0.74) KDM4ELMNAALDH1A1HPGDGAA
SCHEMBL7817206 0.74 KDM4E (0.88) KDM4ELMNAALDH1A1HPGDGAA

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