SCHEMBL21242734

SCHEMBL21242734

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ ALB P02768 2/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ FOLH1 Q04609 1/20 0.35
▸ CASP2 P42575 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ ACE2 Q9BYF1 1/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ MMP2 P08253 2/20 0.32
▸ MMP9 P14780 2/20 0.32
▸ MMP8 P22894 2/20 0.32
▸ MMP12 P39900 2/20 0.32
▸ MMP14 P50281 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NAMPT P43490 1/20 0.32

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
SCHEMBL16638262 0.83 ALDH1A1 (0.44) ALDH1A1CYP1A2ALBLTA4HFOLH1
SCHEMBL21243012 0.79 — —
SCHEMBL21242815 0.77 FOLH1 (0.41) ALDH1A1CYP1A2ALBLTA4HFOLH1
SCHEMBL23974073 0.76 LTA4H (0.46) ALDH1A1CYP1A2ALBLTA4HFOLH1
SCHEMBL16947953 0.75 FOLH1 (0.48) ALBFOLH1
SCHEMBL16947836 0.75 FOLH1 (0.48) ALBFOLH1
SCHEMBL20055001 0.75 CASP2 (0.52) ALDH1A1CYP1A2CASP2EPHX2ACE2
SCHEMBL19069567 0.73 CASP2 (0.59) ALDH1A1CYP1A2LTA4HCASP2EPHX2
SCHEMBL12413859 0.73 CYP1A2 (0.52) ALDH1A1CYP1A2LTA4HFOLH1CASP2
SCHEMBL9439427 0.73 KDM4E (0.50) ALDH1A1FOLH1

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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