SCHEMBL8434730

SCHEMBL8434730

CCCC(CC)c1nc(S(=O)(=O)c2ccc(OC)cc2)c(C(=O)O)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.39
BRS3 P32247 3/20 0.35
EDNRB P24530 2/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL7501739 0.83 EDNRA (0.47) EDNRABRS3EDNRBALDH1A1TSHR
SCHEMBL8435081 0.83 EDNRA (0.44) EDNRABRS3EDNRBALDH1A1
SCHEMBL8434729 0.75 EDNRA (0.40) EDNRABRS3ALDH1A1TSHR
SCHEMBL7501755 0.73 EDNRA (0.44) EDNRABRS3EDNRBALDH1A1
SCHEMBL7502700 0.72 EDNRA (0.43) EDNRABRS3EDNRBALDH1A1
SCHEMBL8435187 0.72 EDNRA (0.44) EDNRABRS3EDNRBALDH1A1
SCHEMBL8432517 0.69 EDNRA (0.42) EDNRAEDNRB
SCHEMBL8434768 0.69 EDNRA (0.52) EDNRABRS3EDNRBALDH1A1
SCHEMBL7495951 0.69 EDNRA (0.46) EDNRABRS3EDNRBALDH1A1
SCHEMBL6579920 0.69 EDNRA (0.46) EDNRABRS3EDNRBALDH1A1

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-5932741-A TREATING ILLNESSES RESULTING FROM ABNORMAL STIMULATION OF ENDOTHELIN RECEPTORS HOECHST MARION ROUSSEL (FR) 1999-08-03 US disclosed