SCHEMBL17690658

SCHEMBL17690658

CC(C)[C@H](N)C(=O)N[C@H]1CC[C@@H](O)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.50
SMYD3 Q9H7B4 1/20 0.41
XIAP P98170 1/20 0.40
ARG1 P05089 5/20 0.39
ARG2 P78540 4/20 0.39
DPP4 P27487 1/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MELK Q14680 2/20 0.36
LMNA P02545 2/20 0.36
BLM P54132 1/20 0.36
SLC7A5 Q01650 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL17690660 1.00 EPHX2 (0.50) EPHX2SMYD3XIAPARG1ARG2
SCHEMBL15054947 0.92 SMYD3 (0.46) SMYD3XIAPARG1ARG2DPP4
SCHEMBL28661580 0.92 SMYD3 (0.46) SMYD3XIAPARG1ARG2DPP4
SCHEMBL5967831 0.92 SMYD3 (0.46) SMYD3XIAPARG1ARG2DPP4
SCHEMBL2735524 0.85 KMT2A (0.48) SMYD3XIAPARG1ARG2DPP4
SCHEMBL14655011 0.85 KMT2A (0.48) SMYD3XIAPARG1ARG2DPP4
SCHEMBL25069101 0.85 EPHX1 (0.43) EPHX2SMYD3ARG1ARG2DPP4
SCHEMBL1953167 0.85 EPHX1 (0.47) EPHX2DPP4FAPDPP8DPP9
SCHEMBL12824263 0.85 EPHX1 (0.47) EPHX2DPP4FAPDPP8DPP9
SCHEMBL1953168 0.85 EPHX1 (0.47) EPHX2DPP4FAPDPP8DPP9

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-2321272-B1 ORGANIC COMPOUNDS NABRIVA THERAPEUTICS AG (AT) 2016-04-20 EP disclosed