SCHEMBL7070336

SCHEMBL7070336

CC(C)(C)OC(=O)NC1CCSc2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NFKB1 P19838 2/20 0.38
▸ NFKB2 Q00653 2/20 0.38
▸ RELA Q04206 2/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6068965 0.76 EPHX2 (0.45) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL6068960 0.76 EPHX2 (0.45) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL7986840 0.71 BRD4 (0.48) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL29264385 0.71 BRD4 (0.48) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL8430929 0.71 BRD4 (0.53) EPHX2GAANFKB1NFKB2RELA
SCHEMBL5757370 0.71 KMT2A (0.52) KMT2AMEN1TDP1
SCHEMBL6069059 0.68 BCHE (0.35) KDM1AKMT2AMEN1
SCHEMBL4949895 0.68 GAA (0.55) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL3375618 0.68 PDE4A (0.52) EPHX2KMT2AMEN1DRD2
SCHEMBL3375614 0.68 PDE4A (0.52) EPHX2KMT2AMEN1DRD2

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-1370547-A1 BENZOAXATHIEPIN DERIVATIVES AND THEIR USE AS MEDICINES PIERRE FABRE MEDICAMENT (FR) 2003-12-17 — — EP disclosed
WO-2002081464-A1 BENZOAXATHIEPIN DERIVATIVES AND THEIR USE AS MEDICINES PIERRE FABRE MEDICAMENT (FR) 2002-10-17 — — WO disclosed
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