SCHEMBL20215729

SCHEMBL20215729

O=C(O)CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC(=O)N[C@@H](CO)C(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 4/20 0.55
▸ EPHX2 P34913 1/20 0.51
▸ GLP1R P43220 8/20 0.49
▸ FOLH1 Q04609 3/20 0.46
▸ TYMS P04818 1/20 0.44
▸ GART P22102 1/20 0.44
▸ ATIC P31939 1/20 0.44
▸ GNPAT O15228 1/20 0.44

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
SCHEMBL19307981 1.00 NOD1 (0.55) NOD1EPHX2GLP1RFOLH1TYMS
SCHEMBL16273259 0.91 NOD1 (0.59) NOD1EPHX2GLP1RFOLH1TYMS
SCHEMBL14167460 0.91 NOD1 (0.62) NOD1EPHX2FOLH1GNPAT
SCHEMBL18735827 0.91 NOD1 (0.62) NOD1EPHX2FOLH1GNPAT
SCHEMBL19307982 0.90 NOD1 (0.54) NOD1EPHX2GLP1RFOLH1
SCHEMBL19786616 0.89 NOD1 (0.69) NOD1EPHX2GLP1R
SCHEMBL20215725 0.89 NOD1 (0.69) NOD1EPHX2GLP1R
SCHEMBL19307996 0.89 NOD1 (0.55) NOD1EPHX2GLP1RFOLH1
SCHEMBL19308032 0.89 NOD1 (0.55) NOD1EPHX2GLP1RFOLH1
SCHEMBL20215727 0.89 NOD1 (0.69) NOD1EPHX2GLP1R

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
US-9988430-B2 Stable GLP-1 based GLP-1/glucagon receptor co-agonists NOVO NORDISK A/S (DK) 2018-06-05 — — US disclosed
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