SCHEMBL8085505

SCHEMBL8085505

COc1ccc(NC(CO)C(CO)Nc2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
GAA P10253 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 2/20 0.50
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
CYP2C9 P11712 2/20 0.46
TSHR P16473 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL28736730 0.82 MAPT (0.48) MAPTNPC1RAB9AGAAL3MBTL1
SCHEMBL21443321 0.77 RAB9A (0.56) MAPTNPC1RAB9AGAAL3MBTL1
SCHEMBL29067521 0.77 TGM2 (0.46) MAPTNPC1RAB9AGAAL3MBTL1
SCHEMBL28946714 0.77 FPR2 (0.51) MAPTNPC1RAB9AGAAL3MBTL1
SCHEMBL28946713 0.77 FPR2 (0.51) MAPTNPC1RAB9AGAAL3MBTL1
SCHEMBL10771680 0.75 ALDH1A1 (0.56) MAPTNPC1RAB9AGAAL3MBTL1
SCHEMBL28635453 0.74 ALDH1A1 (0.50) MAPTNPC1RAB9AGAAL3MBTL1
SCHEMBL3145055 0.74 MAPT (0.53) MAPTNPC1RAB9AGAAL3MBTL1
SCHEMBL3141547 0.74 ALDH1A1 (0.60) MAPTNPC1RAB9AGAAL3MBTL1
SCHEMBL633443 0.74 ALDH1A1 (0.60) MAPTNPC1RAB9AGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000256287-A 1,2-DIAMINODIOL COMPOUND, ITS INTERMEDIATE AND THEIR PRODUCTION SUMITOMO CHEM CO LTD 2000-09-19 JP disclosed