SCHEMBL9689636

SCHEMBL9689636

CC1=C(OC(=O)O)C(c2ccccc2OCc2cccc(C(F)(F)F)c2)C(OC(=O)OCC(C)C)=C(C)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 2/20 0.45
CACNA1D Q01668 2/20 0.45
CACNA1S Q13698 2/20 0.45
CACNA1C Q13936 2/20 0.45
FFAR4 Q5NUL3 2/20 0.42
SLC1A5 Q15758 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR4A2 P43354 2/20 0.39
MAOB P27338 5/20 0.38
SLC26A3 P40879 1/20 0.37
SLC6A4 P31645 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
FFAR1 O14842 1/20 0.37
PTPRC P08575 1/20 0.37
PTPN1 P18031 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL9689534 0.92 FFAR4 (0.44) CACNA1FCACNA1DCACNA1SCACNA1CFFAR4
SCHEMBL10814008 0.91 FFAR4 (0.48) FFAR4SLC1A5MRGPRX4ALDH1A1GAA
SCHEMBL11169187 0.89 FFAR4 (0.41) FFAR4SLC1A5MRGPRX4ALDH1A1GAA
SCHEMBL9689738 0.85 CACNA1F (0.42) CACNA1FCACNA1DCACNA1SCACNA1CFFAR4
SCHEMBL10818189 0.84 TP53 (0.41) CACNA1FCACNA1DCACNA1SCACNA1CSLC1A5
SCHEMBL11009743 0.83 CACNA1F (0.57) CACNA1FCACNA1DCACNA1SCACNA1CFFAR4
SCHEMBL10649923 0.82 L3MBTL1 (0.39) CACNA1FCACNA1DCACNA1SCACNA1CFFAR4
SCHEMBL10646682 0.81 SMYD3 (0.43) FFAR4SLC1A5MRGPRX4ALDH1A1GAA
SCHEMBL9691796 0.80 HTR6 (0.43) MRGPRX4GAAL3MBTL1NR4A2MAOB
SCHEMBL11007406 0.80 FFAR4 (0.51) FFAR4SLC1A5MRGPRX4ALDH1A1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0071819-B2 DIHYDROPYRIDINES WITH A POSITIVE INOTROPIC ACTIVITY, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESSES FOR THEIR PREPARATION BAYER AG (DE) 1992-06-10 EP disclosed