SCHEMBL3397688

SCHEMBL3397688

CON(C)C(=O)c1cccc(Br)c1OCC1CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 1/20 0.38
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
CNR2 P34972 3/20 0.36
GPR119 Q8TDV5 6/20 0.35
HPGD P15428 1/20 0.35
PDE4D Q08499 1/20 0.34
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
ADAM17 P78536 1/20 0.33
LSS P48449 1/20 0.32

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
SCHEMBL3398683 0.80 THRA (0.45) CXCR5THRATHRBCNR2HPGD
SCHEMBL6269942 0.80 HSD17B10 (0.39) HPGD
SCHEMBL306847 0.73 HPGD (0.54) HPGD
SCHEMBL2285021 0.72 HPGD (0.40) HPGD
SCHEMBL4837622 0.72 KMT2A (0.41) HPGD
SCHEMBL30705740 0.72 KMT2A (0.41) HPGD
SCHEMBL144818 0.71 KMT2A (0.49) HPGD
SCHEMBL155883 0.71 MEN1 (0.41) HPGD
SCHEMBL10209543 0.71 SMN1; SMN2 (0.44) HPGDPDE4D
SCHEMBL28549841 0.69 FABP4 (0.52) CXCR5HPGD

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-2245019-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed