SCHEMBL8043446

SCHEMBL8043446

CCCCc1nc(SCCCCCC(=O)O)c(C(=O)O)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.59
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AGTR1 P30556 3/20 0.36
AGTR2 P50052 3/20 0.36

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
SCHEMBL7494119 0.97 EDNRA (0.60) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7496900 0.96 EDNRA (0.64) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8046639 0.95 EDNRA (0.65) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7496869 0.92 EDNRA (0.66) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8434697 0.91 EDNRA (0.58) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3835089 0.91 EDNRA (0.53) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8435201 0.89 EDNRA (0.63) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3838490 0.87 EDNRA (0.58) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8590715 0.86 EDNRA (0.58) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8052404 0.85 EDNRA (0.46) 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
US-6143774-A DRUGS AS HYPOTENSIVE AGENTS HOECHST MARION ROUSSEL (FR) 2000-11-07 US disclosed