SCHEMBL6913804

SCHEMBL6913804

C=CC(=O)NC[C@H](NC(=O)OC1CCCC1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRHR P34981 3/20 0.36
EPHX1 P07099 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
SCHEMBL8021556 0.85 F2 (0.43)
SCHEMBL6886916 0.81 TRHR (0.35) TRHR
SCHEMBL12771027 0.80 HDAC4 (0.41) TRHR
SCHEMBL6913290 0.79
SCHEMBL8133669 0.76 PREP (0.41) EPHX1
SCHEMBL14432929 0.74 EPHX1 (0.36) TRHREPHX1
SCHEMBL8272952 0.74 EPHX1 (0.36) TRHREPHX1
SCHEMBL8161391 0.74 ELANE (0.43)
SCHEMBL8133784 0.73 ELANE (0.40) EPHX1
SCHEMBL8274139 0.73 ELANE (0.40) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011002807-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-01-06 WO disclosed
WO-2009082697-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-02 WO disclosed