SCHEMBL7018527

SCHEMBL7018527

CCOC(=O)CCCOc1ccc(C[C@H](Nc2nc3cc(Br)cc(F)c3o2)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.43
PPARA Q07869 5/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
ELANE P08246 1/20 0.40
PPARD Q03181 2/20 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
SCHEMBL6730271 0.91 ELANE (0.38) PPARGPPARAITGB3ITGA2BELANE
SCHEMBL7010549 0.81 PPARG (0.51) PPARGPPARAELANE
SCHEMBL6221543 0.80 PPARG (0.36) PPARGPPARAITGB3ITGA2B
SCHEMBL6222076 0.75 LDHA (0.42) PPARGITGB3ITGA2B
SCHEMBL6284756 0.74 NPR3 (0.33) PPARGITGB3ITGA2BELANE
SCHEMBL6289055 0.72 ELANE (0.48) PPARGPPARAELANE
SCHEMBL6221383 0.71 PPARG (0.45) PPARGPPARA
SCHEMBL6222298 0.71 PDE3B (0.47) PPARGITGB3ITGA2B
SCHEMBL6221979 0.71 ITGB1 (0.53) PPARGPPARA
SCHEMBL6222810 0.70 PDE3B (0.46) PPARGITGB3ITGA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282621-A1 VITRONECTIN RECEPTOR ANTAGONISTS Aventis Pharma S.A. (FR) 2003-02-12 EP disclosed
WO-2001085729-A1 NOVEL VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA S.A. (FR) 2001-11-15 WO disclosed