SCHEMBL29689355

SCHEMBL29689355

NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.62
GNPAT O15228 1/20 0.55
MME P08473 1/20 0.53
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
ERAP2 Q6P179 1/20 0.52
LNPEP Q9UIQ6 1/20 0.52
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
NPY4R P50391 1/20 0.52
OPRK1 P41145 1/20 0.52
LTA4H P09960 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL29531290 1.00 MMP2 (0.62) MMP2GNPATMMEITGB3ITGA2B
SCHEMBL29539550 1.00 MMP2 (0.62) MMP2GNPATMMEITGB3ITGA2B
SCHEMBL29376846 1.00 MMP2 (0.62) MMP2GNPATMMEITGB3ITGA2B
SCHEMBL34464901 0.97 MMP2 (0.62) MMP2GNPATMMEITGB3ITGA2B
SCHEMBL31408938 0.97 MMP2 (0.62) MMP2GNPATMMEITGB3ITGA2B
SCHEMBL17510189 0.97 MMP2 (0.64) MMP2GNPATMMEITGB3ITGA2B
SCHEMBL1374145 0.97 MMP2 (0.64) MMP2GNPATMMEITGB3ITGA2B
SCHEMBL1374146 0.97 MMP2 (0.64) MMP2GNPATMMEITGB3ITGA2B
SCHEMBL30688845 0.97 MMP2 (0.64) MMP2GNPATMMEITGB3ITGA2B
SCHEMBL29531496 0.97 MMP2 (0.64) MMP2GNPATMMEITGB3ITGA2B

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
CN-108349960-B Nostoc compounds and conjugates, their preparation and their therapeutic use 赛诺菲 2022-05-27 CN disclosed