SCHEMBL8784103

SCHEMBL8784103

CC(C)c1nc(SCCCCCCCC(=O)O)cn1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EDNRA P25101 1/20 0.35
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 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
SCHEMBL8784040 0.88 SLC22A12 (0.41) SLC22A12KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8784106 0.85 EDNRA (0.47) SLC22A12KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8784871 0.81 EDNRA (0.48) SLC22A12KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7496887 0.80 EDNRA (0.46) SLC22A12KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8784052 0.80 EDNRA (0.44) SLC22A12KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7496855 0.76 EDNRA (0.47) SLC22A12KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8785538 0.76 SLC22A12 (0.45) SLC22A12KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8043443 0.75 EDNRA (0.46) SLC22A12KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7494105 0.71 EDNRA (0.47) SLC22A12KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3838925 0.71 EDNRA (0.46) SLC22A12KDM4EALDH1A1HPGDSMN1; 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-A1 NOVEL USE AND NOVEL DERIVATIVES OF IMIDAZOLE, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1997-06-04 EP disclosed