SCHEMBL8434261

SCHEMBL8434261

CCCCc1nc(Sc2ccc(OC)cc2)c(C(=O)O)n1CC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TLR7 Q9NYK1 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.38
AGTR1 P30556 2/20 0.38
AGTR2 P50052 2/20 0.38

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
SCHEMBL7501757 0.80 EDNRA (0.55)
SCHEMBL7501514 0.73 ALDH1A1 (0.42) CNR2ALDH1A1MEN1HTTKMT2A
SCHEMBL7506638 0.69 EDNRA (0.45) ALDH1A1TLR7
SCHEMBL8434768 0.69 EDNRA (0.52) ALDH1A1
SCHEMBL7499877 0.67 EDNRA (0.45) ALDH1A1AGTR1AGTR2
SCHEMBL8434256 0.66 ALDH1A1 (0.44) ALDH1A1HTTGAA
SCHEMBL29109902 0.66 AGTR1 (0.48) ALDH1A1MEN1KMT2ATLR7AGTR1
SCHEMBL8823608 0.65 AGTR1 (0.59) TLR7AGTR1AGTR2
SCHEMBL6422052 0.65 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL7706059 0.64 AGTR1 (0.56) AGTR1AGTR2

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