SCHEMBL8810101

SCHEMBL8810101

CCCCCc1nc(CC(C(=O)N2C(=O)OC[C@@H]2C(C)C)c2ccc3c(c2)OCO3)c(C(=O)OC(C)(C)C)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.36
STAT3 P40763 1/20 0.36
EDNRA P25101 3/20 0.33
IDH1 O75874 1/20 0.32
OGA O60502 2/20 0.32
EDNRB P24530 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA2B P08514 1/20 0.31
ITGB5 P18084 1/20 0.31
ITGB6 P18564 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TGFBR1 P36897 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL8811832 0.98 IL6ST (0.35) IL6STSTAT3EDNRAIDH1OGA
SCHEMBL8810732 0.95 EDNRA (0.34) IL6STSTAT3EDNRAIDH1OGA
SCHEMBL8810786 0.92 EDNRA (0.35) IL6STSTAT3EDNRAIDH1OGA
SCHEMBL8809676 0.84 EDNRA (0.41) EDNRAOGAEDNRBALDH1A1LMNA
SCHEMBL8807025 0.82 EDNRA (0.41) EDNRAOGAEDNRBALDH1A1LMNA
SCHEMBL7975894 0.80 IL6ST (0.36) IL6STSTAT3EDNRAIDH1EDNRB
SCHEMBL8809082 0.79 EDNRA (0.44) EDNRAALDH1A1LMNAMAPTTGFBR1
SCHEMBL8807087 0.79 EDNRA (0.42) EDNRAOGAEDNRBALDH1A1LMNA
SCHEMBL7986429 0.78 IL6ST (0.35) IL6STSTAT3EDNRAIDH1MAPT
SCHEMBL8809339 0.77 EDNRA (0.44) EDNRAALDH1A1LMNAMAPTTGFBR1

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
EP-0792265-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-03 EP disclosed