SCHEMBL4706568

SCHEMBL4706568

Cc1cc(Br)ccc1CCOC(=O)Nc1cccc(CCNC(=O)OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ENPP2 Q13822 3/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4706621 0.87 L3MBTL1 (0.48) MGLLL3MBTL1ENPP2LMNASMN1; SMN2
SCHEMBL3858457 0.84 MGLL (0.44) MGLLENPP2SMN1; SMN2MEN1KMT2A
SCHEMBL3862893 0.83 PPARG (0.47) MGLLL3MBTL1ENPP2
SCHEMBL3946212 0.83 PPARG (0.47) MGLLL3MBTL1ENPP2
SCHEMBL3862897 0.83 PPARG (0.47) MGLLL3MBTL1ENPP2
SCHEMBL3857652 0.81 PPARG (0.45) MGLL
SCHEMBL13619498 0.79 PPARG (0.43) MGLLL3MBTL1
SCHEMBL13619486 0.79 PPARG (0.43) MGLLL3MBTL1
SCHEMBL4704709 0.78 CTSK (0.45) L3MBTL1LMNASMN1; SMN2KMT2A
SCHEMBL31188097 0.76 LMNA (0.50) L3MBTL1LMNASMN1; SMN2MEN1KMT2A

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-1971582-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-09-24 EP disclosed
WO-2007076431-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-05 WO disclosed