SCHEMBL1036571

SCHEMBL1036571

COCCCN1C(=O)COc2ccc(CO[C@H]3CN(C(=O)O)C[C@@H](C(O)Cc4ccccc4)[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
REN P00797 4/20 0.39
SMPD1 P17405 1/20 0.39
CYP3A4 P08684 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 2/20 0.37
CHRM1 P11229 1/20 0.37
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.35
POLB P06746 1/20 0.35
PIK3CG P48736 1/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL1038320 0.88 REN (0.34) MAPTRENCYP3A4TSHRALDH1A1
SCHEMBL3906082 0.87 MAPT (0.42) MAPTRENSMPD1CYP3A4L3MBTL1
SCHEMBL3919417 0.86 MAPT (0.41) MAPTRENSMPD1CYP3A4L3MBTL1
SCHEMBL3911082 0.85 MAPT (0.40) MAPTRENSMPD1CYP3A4L3MBTL1
SCHEMBL3908343 0.84 MAPT (0.42) MAPTRENSMPD1CYP3A4L3MBTL1
SCHEMBL1036569 0.82 MAPT (0.41) MAPTRENSMPD1CYP3A4L3MBTL1
SCHEMBL3916024 0.81 TP53 (0.38) MAPTRENSMPD1CYP3A4L3MBTL1
SCHEMBL2339171 0.81 MAPT (0.40) MAPTRENSMPD1CYP3A4L3MBTL1
SCHEMBL4136437 0.81 MAPT (0.42) MAPTRENSMPD1CYP3A4L3MBTL1
SCHEMBL1036573 0.80 MAPT (0.41) MAPTRENSMPD1CYP3A4L3MBTL1

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
EP-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP disclosed