SCHEMBL2647640

SCHEMBL2647640

CC(C)C1=C(C(=O)O)C(c2ccc(F)cc2)C(C(=O)O)=C(C(C)C)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
PTPN1 P18031 1/20 0.41
GAA P10253 1/20 0.40
CCR2 P41597 1/20 0.38
GSK3B P49841 2/20 0.38
BACE1 P56817 2/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
BCL2L1 Q07817 1/20 0.34
BAD Q92934 1/20 0.34
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
EPHX1 P07099 1/20 0.33
SLC9A1 P19634 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL27310185 0.87 CACNA1F (0.52) CACNA1FCACNA1DCACNA1SCACNA1CPTPN1
SCHEMBL27365132 0.86 CACNA1F (0.38) CACNA1FCACNA1DCACNA1SCACNA1CPTPN1
SCHEMBL8949694 0.84 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CPTPN1
SCHEMBL27363828 0.84 ABCC1 (0.46) CACNA1FCACNA1DCACNA1SCACNA1CPTPN1
SCHEMBL6563525 0.83 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CPTPN1
SCHEMBL9267467 0.82 CACNA1F (0.45) CACNA1FCACNA1DCACNA1SCACNA1CPTPN1
SCHEMBL10460249 0.80 CACNA1F (0.38) CACNA1FCACNA1DCACNA1SCACNA1CPTPN1
SCHEMBL2647704 0.80 CACNA1F (0.56) CACNA1FCACNA1DCACNA1SCACNA1CPTPN1
SCHEMBL8949674 0.78 CACNA1F (0.53) CACNA1FCACNA1DCACNA1SCACNA1CGAA
SCHEMBL10153183 0.78 GAA (0.56) GAAGSK3BBACE1KMT2AMEN1

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-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US disclosed
US-5401746-A FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND HMG-COA REDUCTASE BAYER AKTIENGESELLSCHAFT (DE) 1995-03-28 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