SCHEMBL21242674

SCHEMBL21242674

O=C(O)CCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCC(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 6/20 0.59
▸ PTPN1 P18031 1/20 0.51
▸ FAAH O00519 1/20 0.50
▸ GNPAT O15228 1/20 0.49
▸ FOLH1 Q04609 2/20 0.47
▸ RIMKLA Q8IXN7 1/20 0.47
▸ NAALAD2 Q9Y3Q0 1/20 0.47
▸ GLO1 Q04760 1/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ GSTK1 Q9Y2Q3 1/20 0.46
▸ SLC6A5 Q9Y345 1/20 0.45
▸ GLP1R P43220 3/20 0.45

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
SCHEMBL14167624 1.00 NOD1 (0.59) NOD1PTPN1FAAHGNPATFOLH1
SCHEMBL19776963 1.00 NOD1 (0.59) NOD1PTPN1FAAHGNPATFOLH1
SCHEMBL21242900 1.00 NOD1 (0.59) NOD1PTPN1FAAHGNPATFOLH1
SCHEMBL24178469 1.00 NOD1 (0.59) NOD1PTPN1FAAHGNPATFOLH1
SCHEMBL19308032 0.94 NOD1 (0.55) NOD1PTPN1FAAHFOLH1GLO1
SCHEMBL19307996 0.94 NOD1 (0.55) NOD1PTPN1FAAHFOLH1GLO1
SCHEMBL27323017 0.92 NOD1 (0.55) NOD1PTPN1FAAHGNPATFOLH1
SCHEMBL19867259 0.91 NOD1 (0.59) NOD1PTPN1GNPATFOLH1RIMKLA
SCHEMBL12673849 0.90 NOD1 (0.55) NOD1GNPATFOLH1RIMKLANAALAD2
SCHEMBL12673981 0.90 NOD1 (0.55) NOD1GNPATFOLH1RIMKLANAALAD2

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-3788063-B1 GIP DERIVATIVES AND USES THEREOF NOVO NORDISK AS (DK) 2023-08-09 — — EP disclosed
EP-2758426-B1 NOVEL GLUCAGON ANALOGUES NOVO NORDISK AS (DK) 2019-08-07 — — EP disclosed
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