SCHEMBL3355846

SCHEMBL3355846

CC(C)(C)OC(=O)N1C=COC(C(=O)O)=C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BCHE P06276 1/20 0.32
ABCB1 P08183 1/20 0.32
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL27602720 0.85 NR1H2 (0.36) USP2SMN1; SMN2BCHE
SCHEMBL6255942 0.74 KLK7 (0.38) SMN1; SMN2BCHEABCB1GPR119
SCHEMBL3354765 0.72 USP2 (0.40) USP2SMN1; SMN2BCHEGPR119
SCHEMBL2884701 0.71 BCHE (0.36) BCHEABCB1GPR119
SCHEMBL29250309 0.69 USP2 (0.42) USP2SMN1; SMN2BCHEGPR119
SCHEMBL2883078 0.68 ABCB1 (0.35) SMN1; SMN2BCHEABCB1GPR119
SCHEMBL21708919 0.68 USP2 (0.41) USP2SMN1; SMN2GPR119
SCHEMBL14323902 0.67 NR1H2 (0.31)
SCHEMBL302939 0.67
SCHEMBL21219152 0.65 BCHE (0.33) USP2SMN1; SMN2BCHE

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
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed