SCHEMBL8043928

SCHEMBL8043928

CC(C)c1nc(SCC2CCC(C(=O)O)CC2)c(C(=O)O)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.51
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8034740 0.90 EDNRA (0.46) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3835438 0.86 EDNRA (0.69) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7496855 0.81 EDNRA (0.47) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8035062 0.80 EDNRA (0.45) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7496887 0.79 EDNRA (0.46) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8434773 0.79 EDNRA (0.47) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8415160 0.77 EDNRA (0.46) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8034743 0.77 EDNRA (0.63) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8663507 0.76 KDM4E (0.50) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8434266 0.76 EDNRA (0.44) 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 2 patents. 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 claimed
US-6143774-A DRUGS AS HYPOTENSIVE AGENTS HOECHST MARION ROUSSEL (FR) 2000-11-07 US disclosed