SCHEMBL22081098

SCHEMBL22081098

NC(=O)C(O)C1CCC(N)CC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.38
DPP4 P27487 1/20 0.36
ALOX5 P09917 1/20 0.34
SMYD3 Q9H7B4 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
SCHEMBL22081715 1.00 EPHX1 (0.38) EPHX1DPP4ALOX5SMYD3
SCHEMBL22081717 1.00 EPHX1 (0.38) EPHX1DPP4ALOX5SMYD3
SCHEMBL22081716 1.00 EPHX1 (0.38) EPHX1DPP4ALOX5SMYD3
SCHEMBL25537773 0.90
SCHEMBL2465665 0.90
SCHEMBL8415992 0.81 DPP4 (0.36) DPP4ALOX5SMYD3
SCHEMBL5485166 0.80
SCHEMBL1715476 0.80 EPHX1 (0.58) EPHX1DPP4
SCHEMBL24355684 0.79 DPP4 (0.35) DPP4ALOX5SMYD3
SCHEMBL24355686 0.79 DPP4 (0.35) DPP4ALOX5SMYD3

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
WO-2020115190-A1 NOVEL ANTIBACTERIAL 3\"-DERIVATIVES OF 4,6-DISUBSTITUTED 2,5-DIDEOXYSTREPTAMINE AMINOGLYCOSIDE ANTIBIOTICS AGILEBIOTICS B.V. (NL) 2020-06-11 WO disclosed