Sugi Predict

Sugi Predict / Compounds / Glutarate

Glutarate

Glutarate

SCHEMBL18249999

CC(C)(C)OC(=O)CNC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(O)CCCC(=O)O

nearest known ligand 0.51

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 19/20 0.51
▸ DNMT1 P26358 1/20 0.46

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
SCHEMBL18250013 0.93 KIF11 (0.57) KIF11DNMT1
SCHEMBL9091074 0.81 KIF11 (0.57) KIF11DNMT1
SCHEMBL11778391 0.80 KIF11 (0.45) KIF11DNMT1
SCHEMBL7749265 0.78 KIF11 (0.59) KIF11DNMT1
SCHEMBL31280127 0.77 KIF11 (0.53) KIF11DNMT1
SCHEMBL31049837 0.77 KIF11 (0.55) KIF11DNMT1
SCHEMBL14920935 0.77 KIF11 (0.58) KIF11DNMT1
SCHEMBL5996941 0.77 KIF11 (0.65) KIF11DNMT1
SCHEMBL29635035 0.77 KIF11 (0.65) KIF11DNMT1
SCHEMBL4459711 0.77 KIF11 (0.65) KIF11DNMT1

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-2016185200-A1 ANTIBACTERIAL AGENT OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2016-11-24 — — WO disclosed