SCHEMBL9875591

SCHEMBL9875591

CC(C)(C)OC(=O)NC1C(=O)CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
DRD2 P14416 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
XIAP P98170 1/20 0.39
LMNA P02545 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A3 Q01959 1/20 0.39
LIPE Q05469 1/20 0.38
NAMPT P43490 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3375614 0.78 PDE4A (0.52) EPHX2DRD2KMT2ALMNA
SCHEMBL30047267 0.78 PDE4A (0.52) EPHX2DRD2KMT2ALMNA
SCHEMBL30468602 0.78 PDE4A (0.52) EPHX2DRD2KMT2ALMNA
SCHEMBL3375618 0.78 PDE4A (0.52) EPHX2DRD2KMT2ALMNA
SCHEMBL9875528 0.77 TAOK1 (0.44) NFKB1NFKB2RELAL3MBTL1HTR2C
SCHEMBL11305981 0.77 XIAP (0.44) KMT2AXIAPLMNAHTR2CSLC6A3
SCHEMBL5814321 0.76 ALDH1A1 (0.49) GAA
SCHEMBL13603823 0.76 DRD2 (0.42) EPHX2DRD2KMT2AL3MBTL1XIAP
SCHEMBL29551628 0.76 HTT (0.59) KMT2ALMNA
SCHEMBL5714269 0.76 HTT (0.59) KMT2ALMNA

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
US-5041673-A Aminopeptidase inhibitors, immunomodulators, analgesics MERRELL DOW PHARMACEUTICALS INC. (US) 1991-08-20 US disclosed