SCHEMBL7299666

SCHEMBL7299666

COc1ccc(NCC(O)CCO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.58
GAA P10253 9/20 0.58
ALDH1A1 P00352 6/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPK1 P28482 3/20 0.58
HTT P42858 2/20 0.58
HPGD P15428 1/20 0.58
L3MBTL1 Q9Y468 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 3/20 0.44
THRB P10828 2/20 0.43
APAF1 O14727 1/20 0.43
TDP2 O95551 1/20 0.43
CASP6 P55212 1/20 0.43
AOC3 Q16853 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
RECQL P46063 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
SCHEMBL6413099 0.86 MAPT (0.61) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL24575446 0.83 MAPT (0.52) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL28367079 0.79 MAPT (0.61) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL7346554 0.77 MAPT (0.58) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL10678167 0.77 MAPT (0.55) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL3011500 0.75 MAPT (0.59) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL20552597 0.75 MAPT (0.77) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL23587807 0.75 MAPT (0.64) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL4061071 0.74 GAA (0.76) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL16671107 0.74 MAPT (0.63) MAPTGAAALDH1A1MEN1KMT2A

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-0459256-B1 Oxazolidinones with CNS-depressant activity MERCK PATENT GMBH (DE) 1995-07-12 EP disclosed
US-5232931-A OXAZOLIDINONES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-03 US disclosed
EP-0459256-A1 Oxazolidinones with CNS-depressant activity MERCK PATENT GmbH (DE) 1991-12-04 EP disclosed
EP-0443197-A2 Oxazolidinones MERCK PATENT GmbH (DE) 1991-08-28 EP disclosed