SCHEMBL7501892

SCHEMBL7501892

CCCCc1nc(SCCCC(=O)O)c(OC(=O)O)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.48
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
CASP6 P55212 1/20 0.34
PTPN11 Q06124 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 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
SCHEMBL7503953 0.96 EDNRA (0.53) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7506376 0.93 EDNRA (0.51) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7494119 0.87 EDNRA (0.60) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8043446 0.84 EDNRA (0.59) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7499196 0.83 EDNRA (0.45) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7496869 0.83 EDNRA (0.66) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7501806 0.83 EDNRA (0.57) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7506638 0.81 EDNRA (0.45) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8046639 0.80 EDNRA (0.65) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7496900 0.80 EDNRA (0.64) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2

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-0776325-B1 NOVEL USE AND NOVEL DERIVATIVES OF IMIDAZOLE, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2002-11-20 EP claimed