SCHEMBL9019216

SCHEMBL9019216

O=P(Br)(N1CCOCC1)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
GAA P10253 3/20 0.42
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
ALPG P10696 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CA12 O43570 2/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MGLL Q99685 1/20 0.33
ANPEP P15144 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 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
SCHEMBL1276983 0.77 MAPT (0.46) MAPTGAAMMP1MMP3MMP8
SCHEMBL11531391 0.74 MAPT (0.45) MAPTGAAMMP1MMP3MMP8
SCHEMBL29727668 0.74 MAPT (0.45) MAPTGAAMMP1MMP3MMP8
SCHEMBL273145 0.72 MAPT (0.43) MAPTGAAMMP1MMP3MMP8
SCHEMBL13022054 0.72 MAPT (0.43) MAPTGAAMMP1MMP3MMP8
SCHEMBL4256819 0.72 MAPT (0.43) MAPTGAAMMP1MMP3MMP8
SCHEMBL329843 0.72 MMP1 (0.50) MAPTGAAMMP1MMP3MMP8
SCHEMBL2974382 0.72 MMP1 (0.50) MAPTGAAMMP1MMP3MMP8
SCHEMBL409920 0.72 MAPT (0.43) MAPTGAAMMP1MMP3MMP8
SCHEMBL2844045 0.72 MAPT (0.43) MAPTGAAMMP1MMP3MMP8

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
US-5563129-A Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-08 US disclosed
US-5534639-A Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-09 US disclosed
US-5436359-A Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-07-25 US disclosed
EP-0560568-A2 Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-15 EP disclosed