SCHEMBL2476789

SCHEMBL2476789

Cc1cc(Cl)c(O)c(Cl)c1.Cc1cc(Cl)c(OCCO)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
TTR P02766 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
HTR1A P08908 1/20 0.37
REN P00797 1/20 0.37
PLAU P00749 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL660641 0.93 MAPT (0.51) MAPTHPGDMAPK1L3MBTL1KDM4E
SCHEMBL10359370 0.84 KDM4E (0.59) MAPTHPGDMAPK1L3MBTL1KDM4E
SCHEMBL2376058 0.83 MAPT (0.54) MAPTHPGDMAPK1L3MBTL1KDM4E
SCHEMBL14380211 0.81 MAPT (0.53) MAPTHPGDMAPK1L3MBTL1KDM4E
SCHEMBL17565202 0.81 KDM4E (0.42) MAPTHPGDMAPK1L3MBTL1KDM4E
SCHEMBL2448020 0.79 HSD17B10 (0.42) MAPTHPGDMAPK1L3MBTL1ALDH1A1
SCHEMBL9349699 0.77 MAPT (0.45) MAPTL3MBTL1KDM4EALDH1A1TDP1
SCHEMBL64932 0.76 ALDH1A1 (0.58) MAPTHPGDMAPK1KDM4EALDH1A1
SCHEMBL2799797 0.75 MAPT (0.53) MAPTHPGDMAPK1L3MBTL1KDM4E
SCHEMBL17087123 0.75 MAPT (0.53) MAPTHPGDMAPK1L3MBTL1KDM4E

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-2376473-A1 3,4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Merck Canada Inc. (CA) 2011-10-19 EP disclosed
WO-2010066028-A1 3,4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-06-17 WO disclosed