SCHEMBL13458124

SCHEMBL13458124

C[C@@H](N)C(=O)NC1CCC(O)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.54
SMYD3 Q9H7B4 2/20 0.44
KMT2A Q03164 1/20 0.39
XIAP P98170 2/20 0.39
LMNA P02545 1/20 0.37
BLM P54132 1/20 0.37
ATM Q13315 1/20 0.36
KDM1A O60341 1/20 0.36
ARG1 P05089 1/20 0.35
ARG2 P78540 1/20 0.35
DPP4 P27487 1/20 0.35
CTSD P07339 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC15A1 P46059 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL13457996 1.00 EPHX2 (0.54) EPHX2SMYD3KMT2AXIAPLMNA
SCHEMBL22987448 0.92
SCHEMBL3562819 0.92
SCHEMBL2156256 0.92
Hydrochloric Acid SCHEMBL22979117 0.90 SMYD3 (0.47) EPHX2SMYD3KMT2AXIAPLMNA
Hydrochloric Acid SCHEMBL22979118 0.90 SMYD3 (0.47) EPHX2SMYD3KMT2AXIAPLMNA
SCHEMBL17690660 0.85 EPHX2 (0.50) EPHX2SMYD3KMT2AXIAPLMNA
SCHEMBL17690658 0.85 EPHX2 (0.50) EPHX2SMYD3KMT2AXIAPLMNA
SCHEMBL22629584 0.84 EPHX1 (0.50) SMYD3KMT2AXIAPLMNABLM
SCHEMBL15906216 0.84 EPHX1 (0.50) SMYD3KMT2AXIAPLMNABLM

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-2010025482-A1 ORGANIC COMPOUNDS NABRIVA THERAPEUTICS AG (AT) 2010-03-11 WO disclosed