SCHEMBL29517677

SCHEMBL29517677

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 2/20 0.57
▸ FOLH1 Q04609 2/20 0.53
▸ NMT2 O60551 1/20 0.44
▸ NMT1 P30419 1/20 0.44
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ GRIN2C Q14957 1/20 0.44
▸ GRIN3A Q8TCU5 1/20 0.44
▸ SIRT5 Q9NXA8 3/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ TLR2 O60603 2/20 0.41
▸ TASP1 Q9H6P5 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ TFPI P10646 1/20 0.39

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
SCHEMBL29517462 0.98 GNPAT (0.54) GNPATFOLH1NMT2NMT1GRIN2D
SCHEMBL24616813 0.94 GRIN2D (0.49) GNPATFOLH1NMT2NMT1GRIN2D
SCHEMBL22648216 0.94 GRIN2D (0.49) GNPATFOLH1NMT2NMT1GRIN2D
SCHEMBL29517235 0.93 GNPAT (0.48) GNPATFOLH1NMT2NMT1GRIN2D
SCHEMBL24616812 0.93 GRIN2D (0.49) GNPATFOLH1NMT2NMT1GRIN2D
SCHEMBL29517516 0.92 GNPAT (0.59) GNPATFOLH1SIRT5TASP1
SCHEMBL29517310 0.92 GNPAT (0.59) GNPATFOLH1SIRT5TASP1
SCHEMBL29517504 0.92 GNPAT (0.59) GNPATFOLH1SIRT5TASP1
SCHEMBL29517694 0.92 GNPAT (0.59) GNPATFOLH1SIRT5TASP1
SCHEMBL24616820 0.91 GRIN2D (0.49) GNPATFOLH1NMT2NMT1GRIN2D

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-3966234-A1 VASCULAR CHOLESTEROL INHIBITORS AND USE THEREOF Consejo Superior De Investigaciones Científicas (ES) 2022-03-16 — — EP disclosed
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