SCHEMBL4577453

SCHEMBL4577453

Nc1cccc(F)c1.O=C(Nc1cccc(F)c1)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.65
ENPP2 Q13822 3/20 0.56
BLK P51451 1/20 0.52
BTK Q06187 1/20 0.52
POLB P06746 1/20 0.51
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LRRK2 Q5S007 1/20 0.49

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
SCHEMBL1034658 0.92 MGLL (0.74) MGLLENPP2POLBNPC1ALDH1A1
SCHEMBL3583048 0.90 MGLL (0.72) MGLLENPP2BLKBTKPOLB
SCHEMBL8140343 0.86 MGLL (0.58) MGLLENPP2POLBNPC1ALDH1A1
SCHEMBL3794371 0.85 MGLL (0.82) MGLLENPP2BLKBTKPOLB
SCHEMBL7122137 0.81 MGLL (0.65) MGLLENPP2POLBNPC1ALDH1A1
SCHEMBL38652348 0.80 MGLL (0.57) MGLLENPP2POLBNPC1ALDH1A1
SCHEMBL3787599 0.79 MGLL (0.71) MGLLENPP2BLKBTKPOLB
SCHEMBL3789318 0.79 MGLL (0.85) MGLLENPP2POLBNPC1ALDH1A1
SCHEMBL8984657 0.78 MGLL (0.76) MGLLENPP2POLBNPC1ALDH1A1
SCHEMBL17653814 0.78 MGLL (0.59) MGLLENPP2POLBNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699784-A4 NOVEL OXAZOLIDINONE DERIVATIVES DONG A PHARM CO LTD (KR) 2008-09-03 EP disclosed
EP-1699784-A1 NOVEL OXAZOLIDINONE DERIVATIVES Dong-A Pharmaceutical Co., Ltd. (KR) 2006-09-13 EP disclosed
WO-2005058886-A1 NOVEL OXAZOLIDINONE DERIVATIVES DONG-A PHARM.CO.,LTD. (KR) 2005-06-30 WO disclosed