SCHEMBL8007229

SCHEMBL8007229

CON(C)C(=O)CN(C(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
EPHX1 P07099 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD11B1 P28845 1/20 0.31

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
SCHEMBL16234861 0.93 NFKB1 (0.32) HSD11B1
SCHEMBL4735762 0.87 ALDH1A1 (0.38) ALDH1A1EPHX1MEN1KMT2AL3MBTL1
SCHEMBL4736940 0.85 ALDH1A1 (0.36) ALDH1A1EPHX1L3MBTL1
SCHEMBL27510109 0.82 EPHX1 (0.39) EPHX1HSD11B1
SCHEMBL3525420 0.81 EPHX2 (0.39) ALDH1A1EPHX1
SCHEMBL5965337 0.81
SCHEMBL583649 0.81
SCHEMBL6476990 0.81
SCHEMBL7025316 0.80 EPHX2 (0.36) ALDH1A1EPHX1
Water SCHEMBL6244435 0.80

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706532-B1 Peptides having endothelin antagonictic activity,their preparation and pharmaceutical compositions FUJISAWA PHARMACEUTICAL CO (JP) 2000-02-02 EP disclosed
US-5888972-A ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-03-30 US disclosed
WO-1995000537-A1 NEW COMPOUND AND ITS PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-01-05 WO disclosed