SCHEMBL8810786

SCHEMBL8810786

CCc1nc(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 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.35
IDH1 O75874 1/20 0.34
IL6ST P40189 5/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
OGA O60502 3/20 0.32
STAT3 P40763 1/20 0.31
OXTR P30559 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
CYP2D6 P10635 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
SCHEMBL8810732 0.94 EDNRA (0.34) EDNRAIDH1IL6STALDH1A1LMNA
SCHEMBL8811832 0.93 IL6ST (0.35) EDNRAIDH1IL6STALDH1A1LMNA
SCHEMBL8810101 0.92 IL6ST (0.36) EDNRAIDH1IL6STALDH1A1LMNA
SCHEMBL8809610 0.83 EDNRA (0.44) EDNRAALDH1A1LMNAMAPTOGA
SCHEMBL7994175 0.79 EDNRA (0.35) EDNRAIDH1IL6STMAPTTRPV1
SCHEMBL13916990 0.79 IL6ST (0.40) EDNRAIDH1IL6STTRPV1STAT3
SCHEMBL13928771 0.79 IL6ST (0.40) EDNRAIDH1IL6STTRPV1STAT3
SCHEMBL8807087 0.77 EDNRA (0.42) EDNRAALDH1A1LMNAMAPTOGA
SCHEMBL7986613 0.76 EDNRA (0.34) EDNRAIDH1IL6STLMNAMAPT
SCHEMBL8807025 0.75 EDNRA (0.41) EDNRAALDH1A1LMNAMAPTOGA

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