SCHEMBL6222298

SCHEMBL6222298

CCOC(=O)CCCOc1ccc(C[C@H](Nc2nc3cc(C)ccc3[nH]2)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
P2RY12 Q9H244 1/20 0.47
ITGB1 P05556 4/20 0.46
ITGA5 P08648 2/20 0.46
ITGA4 P13612 2/20 0.44
MAPT P10636 1/20 0.44
PPARG P37231 4/20 0.42
ITGB3 P05106 3/20 0.42
ITGA2B P08514 2/20 0.42
LTA4H P09960 3/20 0.41
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
MMP13 P45452 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ITGAV P06756 1/20 0.40

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
SCHEMBL6222810 0.92 PDE3B (0.46) PDE3BPDE3AP2RY12ITGB1ITGA5
SCHEMBL6280034 0.90 PDE3B (0.44) PDE3BPDE3AP2RY12ITGB1ITGA5
SCHEMBL6289067 0.83 PDE3B (0.43) PDE3BPDE3AP2RY12ITGB1ITGA5
SCHEMBL6221415 0.81 NPC1 (0.42) ITGB1ITGA5ITGA4MAPTPPARG
SCHEMBL7010549 0.74 PPARG (0.51) PPARG
SCHEMBL6221979 0.74 ITGB1 (0.53) ITGB1ITGA5ITGA4MAPTPPARG
SCHEMBL6281586 0.73 MAPT (0.39) ITGB1ITGA5MAPTITGB3ITGA2B
SCHEMBL6222076 0.73 LDHA (0.42) PDE3BPDE3AP2RY12ITGB1ITGA5
SCHEMBL6221855 0.73 NPC1 (0.42) ITGB1ITGA5MAPTPPARGITGB3
SCHEMBL7018527 0.71 PPARG (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282621-B1 VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA SA (FR) 2005-09-07 EP disclosed
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