SCHEMBL20122040

SCHEMBL20122040

CC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCC(=O)C(C)C)C(=O)O)C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 7/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ FOLH1 Q04609 4/20 0.40
▸ ALB P02768 2/20 0.39
▸ NAALAD2 Q9Y3Q0 2/20 0.38
▸ RIMKLA Q8IXN7 1/20 0.38
▸ GNPAT O15228 2/20 0.37
▸ GLO1 Q04760 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
SCHEMBL20122048 0.88 NOD1 (0.50) NOD1ALDH1A1KDM4EMAPTTHRB
SCHEMBL20122041 0.88 NOD1 (0.50) NOD1ALDH1A1KDM4EMAPTTHRB
SCHEMBL17040489 0.86 NOD1 (0.49) NOD1ALDH1A1KDM4EMAPTTHRB
SCHEMBL25849917 0.85 NOD1 (0.56) NOD1FOLH1GNPAT
SCHEMBL29362117 0.79 NOD1 (0.50) NOD1ALDH1A1KDM4EMAPTTHRB
SCHEMBL12983544 0.79 NOD1 (0.50) NOD1ALDH1A1KDM4EMAPTTHRB
SCHEMBL15451421 0.79 NOD1 (0.54) NOD1ALDH1A1KDM4EMAPTTHRB
SCHEMBL18272425 0.79 FOLH1 (0.60) NOD1ALDH1A1KDM4EMAPTTHRB
SCHEMBL15451406 0.79 NOD1 (0.54) NOD1ALDH1A1KDM4EMAPTTHRB
SCHEMBL18082026 0.79 FOLH1 (0.60) NOD1ALDH1A1KDM4EMAPTTHRB

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-9963496-B2 Stable glucagon analogues and use for treatment of hypoglycaemia NOVO NORDISK A/S (DK) 2018-05-08 — — US disclosed
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