SCHEMBL3467565

SCHEMBL3467565

CC(C)(C)COS(=O)(=O)c1ccc2c(c1)C1(OCCCO1)C(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 1/20 0.33
PAX8 Q06710 1/20 0.33
TP53 P04637 1/20 0.32
PKLR P30613 1/20 0.31
IDO1 P14902 1/20 0.31
MGAT2 Q10469 1/20 0.30

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
SCHEMBL3468222 0.82 KMT2A (0.35) GAAMAPK1KMT2APOLBMEN1
SCHEMBL3469175 0.80 GAA (0.56) GAAMAPK1KMT2APOLBMEN1
SCHEMBL3478684 0.77 MAPK1 (0.52) GAAMAPK1KMT2APOLBMEN1
SCHEMBL13196446 0.76 GAA (0.48) GAAMAPK1KMT2APOLBMEN1
SCHEMBL2780829 0.75 GAA (0.59) GAAMAPK1KMT2APOLBMEN1
SCHEMBL3469163 0.74 CASP3 (0.55) GAAMAPK1KMT2APOLBMEN1
SCHEMBL3478621 0.73 CNR2 (0.48) KMT2APOLBMEN1CNR2ALDH1A1
SCHEMBL3468221 0.73 CNR2 (0.68) POLBCNR2ALDH1A1
SCHEMBL13196452 0.73 GAA (0.50) GAAMAPK1KMT2APOLBMEN1
SCHEMBL5332060 0.73 ALDH1A1 (0.58) GAAMAPK1KMT2APOLBMEN1

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-2010077839-A1 SUBSTITUTED OXINDOL CB2 AGONISTS FOR PAIN TREATMENT WYETH LLC (FORMERLY KNOWN AS WYETH) (US) 2010-07-08 WO disclosed