SCHEMBL6609129

SCHEMBL6609129

Cc1ncoc1-c1ccc(B(O)OC(C)(C)C(C)(C)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.43
IMPDH1 P20839 2/20 0.43
GPR119 Q8TDV5 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
SCHEMBL6609827 0.75 GPR119 (0.38) IMPDH2IMPDH1GPR119
SCHEMBL6611560 0.74 CA12 (0.42) GPR119
SCHEMBL6611235 0.74 LMNA (0.45) IMPDH2IMPDH1GPR119
SCHEMBL3681691 0.73 CA2 (0.45)
SCHEMBL16334163 0.73 KIF11 (0.42) GPR119
SCHEMBL15225532 0.72 MGLL (0.47)
SCHEMBL6609673 0.72 ESR1 (0.38)
SCHEMBL19433226 0.71 CA2 (0.42)
SCHEMBL16432264 0.71 KDM4E (0.45) GPR119
SCHEMBL6607392 0.71 ATM (0.35) GPR119

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-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO disclosed