SCHEMBL8949895

SCHEMBL8949895

CCCC1=C(C(=O)OCC)C(c2ccc(F)cc2)C(C(=O)OCC)=C(C(C)C)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1D Q01668 2/20 0.49
CACNA1F O60840 1/20 0.49
CACNA1S Q13698 1/20 0.49
CACNA1C Q13936 1/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABCC1 P33527 1/20 0.45
HSD17B10 Q99714 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
MAPT P10636 1/20 0.41
PTPN1 P18031 1/20 0.41
ACHE P22303 1/20 0.41
CA12 O43570 2/20 0.40

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
SCHEMBL8949992 0.93 CACNA1F (0.47) CACNA1DCACNA1FCACNA1SCACNA1CKDM4E
SCHEMBL8949808 0.91 CACNA1D (0.51) CACNA1DCACNA1FCACNA1SCACNA1CKDM4E
SCHEMBL2647704 0.89 CACNA1F (0.56) CACNA1DCACNA1FCACNA1SCACNA1CKDM4E
SCHEMBL8950009 0.85 CACNA1F (0.46) CACNA1DCACNA1FCACNA1SCACNA1CKDM4E
SCHEMBL27310185 0.85 CACNA1F (0.52) CACNA1DCACNA1FCACNA1SCACNA1CKDM4E
SCHEMBL2662903 0.83 CACNA1F (0.50) CACNA1DCACNA1FCACNA1SCACNA1CKDM4E
SCHEMBL2648819 0.82 CACNA1F (0.70) CACNA1DCACNA1FCACNA1SCACNA1CKDM4E
SCHEMBL9229958 0.81 CACNA1F (0.59) CACNA1DCACNA1FCACNA1SCACNA1CKDM4E
SCHEMBL9363639 0.81 CACNA1D (0.41) CACNA1DCACNA1FCACNA1SCACNA1CKDM4E
SCHEMBL8949606 0.81 CACNA1F (0.48) CACNA1DCACNA1FCACNA1SCACNA1CKDM4E

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