SCHEMBL6774590

SCHEMBL6774590

COC(=O)COc1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
HDAC1 Q13547 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 2/20 0.48
EPHX2 P34913 2/20 0.48
NR1H4 Q96RI1 2/20 0.48
GAA P10253 2/20 0.48
NAMPT P43490 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL3608658 0.87 EPHX2 (0.62) L3MBTL1HDAC1MEN1KMT2AMAPT
SCHEMBL1668726 0.86 ALDH1A1 (0.54) L3MBTL1HDAC1NAMPTALDH1A1LMNA
SCHEMBL7621920 0.86 PTPN1 (0.51) KMT2AMAPTGAANAMPTALDH1A1
SCHEMBL11519663 0.86 HDAC1 (0.54) L3MBTL1HDAC1MAPTEPHX2NR1H4
SCHEMBL14305174 0.86 L3MBTL1 (0.51) L3MBTL1HDAC1MAPTEPHX2NR1H4
SCHEMBL11519657 0.86 L3MBTL1 (0.51) L3MBTL1HDAC1MAPTEPHX2NR1H4
SCHEMBL3806574 0.84 HDAC1 (0.47) L3MBTL1HDAC1MEN1KMT2AMAPT
SCHEMBL7652554 0.84 NPC1 (0.58) L3MBTL1HDAC1MEN1KMT2AMAPT
SCHEMBL5987090 0.84 EPHX2 (0.58) L3MBTL1HDAC1MAPTEPHX2NR1H4
SCHEMBL23462113 0.83 L3MBTL1 (0.54) L3MBTL1HDAC1MEN1KMT2AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1208089-B1 DIAZOCIN-DIONE DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS ALTANA PHARMA AG (DE) 2004-10-13 EP disclosed
US-6673786-B1 TREATING ALLERGIC OR INFLAMMATORY DISORDERS ALTANA PHARMA AG (DE) 2004-01-06 US disclosed
EP-1208089-A2 DIAZOCIN-DIONE DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2002-05-29 EP disclosed
WO-2001010848-A2 DIAZOCIN-DIONE DERIVATIVES AND THEIR USE S TRYPTASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-02-15 WO disclosed