SCHEMBL3400543

SCHEMBL3400543

COc1ccc(CO[C@H]2CN(C(=O)O)[C@](CC=O)(Cc3ccccc3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.43
NAAA Q02083 1/20 0.38
ADAM17 P78536 2/20 0.37
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL142211 1.00 GRIN2B (0.43) GRIN2BNAAAADAM17S1PR5
SCHEMBL145242 0.89 GRIN2B (0.45) GRIN2BNAAAADAM17S1PR5
SCHEMBL145119 0.87 GRIN2B (0.43) GRIN2BNAAAADAM17
SCHEMBL141076 0.85 GRIN2B (0.42) GRIN2BNAAAADAM17S1PR5
SCHEMBL144742 0.84 GRIN2B (0.42) GRIN2BNAAAADAM17
SCHEMBL143089 0.81 GRIN2B (0.42) GRIN2BNAAAADAM17
SCHEMBL3402984 0.81 GRIN2B (0.42) GRIN2BNAAAADAM17
SCHEMBL26695056 0.75 NAAA (0.40) GRIN2BNAAA
SCHEMBL26695170 0.75 NAAA (0.40) GRIN2BNAAA
SCHEMBL16402974 0.72 GRIN2B (0.36) GRIN2B

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
EP-2250171-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS Achaogen, Inc. (US) 2010-11-17 EP disclosed
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 WO disclosed