SCHEMBL8045593

SCHEMBL8045593

CCCc1nc(SCCCCC(=O)OCC)c(C(=O)OCC)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.51
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
TP53 P04637 1/20 0.33
CYP19A1 P11511 1/20 0.33
MEN1 O00255 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
SCHEMBL8049333 0.99 EDNRA (0.50) EDNRAALDH1A1HPGDKDM4EGAA
SCHEMBL8052404 0.95 EDNRA (0.46) EDNRAALDH1A1HPGDKDM4EGAA
SCHEMBL8590715 0.94 EDNRA (0.58) EDNRAALDH1A1HPGDKDM4EGAA
SCHEMBL3838490 0.93 EDNRA (0.58) EDNRAALDH1A1HPGDKDM4EGAA
SCHEMBL3835089 0.89 EDNRA (0.53) EDNRAALDH1A1HPGDKDM4EGAA
SCHEMBL8046894 0.85 EDNRA (0.57) EDNRAALDH1A1HPGDKDM4ENPSR1
SCHEMBL8046639 0.84 EDNRA (0.65) EDNRAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL7496900 0.83 EDNRA (0.64) EDNRAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL8432726 0.82 EDNRA (0.54) EDNRAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL7496869 0.81 EDNRA (0.66) EDNRAALDH1A1HPGDKDM4ESMN1; 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
US-6143774-A DRUGS AS HYPOTENSIVE AGENTS HOECHST MARION ROUSSEL (FR) 2000-11-07 US disclosed