SCHEMBL4687150

SCHEMBL4687150

COC(Cc1cc(C(=O)O)ccc1N)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.43
CDC25B P30305 1/20 0.42
GAA P10253 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
GFER P55789 2/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
PLEC Q15149 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
TPMT P51580 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL4235473 0.86 KDM4E (0.51) GAAKDM4EALDH1A1MAPTHPGD
SCHEMBL27655381 0.85 ALDH1A1 (0.40) PTGER4GAAKDM4EHTTALDH1A1
SCHEMBL15087345 0.79 PTGER4 (0.50) PTGER4CDC25BGAAKDM4EHTT
SCHEMBL1560414 0.78 MAPT (0.54) PTGER4CDC25BGAAKDM4EHTT
SCHEMBL1404238 0.77 LNPEP (0.35) CA1CA2CA12CA7CA9
SCHEMBL4687689 0.77 CASP6 (0.54) MAPTLMNATSHR
SCHEMBL15706239 0.76 CDC25B (0.53) PTGER4CDC25BGAAKDM4EHTT
SCHEMBL4233674 0.76 HCAR3 (0.40) CA1CA2CA12CA4CA6
SCHEMBL3956859 0.75 MAPK1 (0.41) GAAKDM4EHTTALDH1A1MAPT
SCHEMBL12367380 0.75 CYP3A4 (0.43) ALDH1A1MAPTTHRBCA1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed