SCHEMBL21242815

SCHEMBL21242815

CC(=O)[C@H](CCCCNC(=O)CC[C@H](C)C(=O)O)NC(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.41
▸ ALB P02768 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ NOD1 Q9Y239 2/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ GLP1R P43220 7/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ MMP8 P22894 2/20 0.35
▸ MMP12 P39900 2/20 0.35
▸ MMP14 P50281 2/20 0.35
▸ CASP2 P42575 1/20 0.35

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
SCHEMBL21899464 0.87 ALDH1A1 (0.42) FOLH1ALBALDH1A1GLP1RCASP2
SCHEMBL23944184 0.84 ALDH1A1 (0.40) FOLH1ALBALDH1A1GLP1RMMP2
SCHEMBL16638262 0.84 ALDH1A1 (0.44) FOLH1ALBALDH1A1CYP1A2LTA4H
SCHEMBL16948010 0.81 ALDH1A1 (0.38) FOLH1ALBALDH1A1CYP1A2NOD1
SCHEMBL21389121 0.81 CASP2 (0.53) NOD1GLP1RCASP2
SCHEMBL21913856 0.80 ALDH1A1 (0.43) FOLH1ALBALDH1A1GLP1RMMP2
SCHEMBL23974073 0.80 LTA4H (0.46) FOLH1ALBALDH1A1CYP1A2NOD1
SCHEMBL21389120 0.80 NOD1 (0.63) NOD1GLP1R
SCHEMBL20235708 0.79 KDM4E (0.52) FOLH1ALBALDH1A1SMN1; SMN2
SCHEMBL16947836 0.78 FOLH1 (0.48) FOLH1ALBNOD1GLP1R

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
EP-2758426-B1 NOVEL GLUCAGON ANALOGUES NOVO NORDISK AS (DK) 2019-08-07 — — EP disclosed
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