SCHEMBL1036573

SCHEMBL1036573

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
SMPD1 P17405 1/20 0.39
REN P00797 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 2/20 0.37
CHRM1 P11229 1/20 0.37
CYP3A4 P08684 1/20 0.37
PIK3CG P48736 2/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.35
POLB P06746 1/20 0.35
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
SCHEMBL1038321 0.88 REN (0.34) MAPTRENTSHRTHRBTP53
SCHEMBL4136437 0.85 MAPT (0.42) MAPTSMPD1RENL3MBTL1TSHR
SCHEMBL1034992 0.84 MAPT (0.39) MAPTSMPD1RENL3MBTL1TSHR
SCHEMBL3919417 0.83 MAPT (0.41) MAPTSMPD1RENL3MBTL1TSHR
SCHEMBL1036569 0.82 MAPT (0.41) MAPTSMPD1RENL3MBTL1TSHR
SCHEMBL3906082 0.81 MAPT (0.42) MAPTSMPD1RENL3MBTL1TSHR
SCHEMBL1040811 0.81 MAPT (0.33) MAPTRENTSHRCYP3A4ALDH1A1
SCHEMBL1037803 0.81 REN (0.38) MAPTSMPD1RENTSHRCHRM1
SCHEMBL1036571 0.80 MAPT (0.41) MAPTSMPD1RENL3MBTL1TSHR
SCHEMBL4647385 0.80 MAPT (0.41) MAPTSMPD1RENL3MBTL1TSHR

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