SCHEMBL851138

SCHEMBL851138

N#Cc1ccc(Oc2ccccc2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.51
MAPT P10636 3/20 0.50
HTT P42858 1/20 0.50
CCR2 P41597 1/20 0.49
SLC6A4 P31645 1/20 0.49
ALDH1A1 P00352 3/20 0.49
PARP15 Q460N3 1/20 0.49
PARP10 Q53GL7 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
KDM4E B2RXH2 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
IL18 Q14116 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 3/20 0.45

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
SCHEMBL28411450 0.86 CTNNB1 (0.66) CTNNB1MAPTHTTALDH1A1KDM4E
SCHEMBL7690228 0.86 CTNNB1 (0.68) CTNNB1MAPTSLC6A4PARP15PARP10
SCHEMBL851003 0.83 HTT (0.51) CTNNB1HTTCCR2ALDH1A1KDM4E
SCHEMBL9252102 0.83 CTNNB1 (0.67) CTNNB1MAPTHTTALDH1A1PARP10
SCHEMBL1798 0.82 CTNNB1 (0.71) CTNNB1MAPTHTTALDH1A1KDM4E
SCHEMBL28011389 0.82 FFAR1 (0.45) MAPTSLC6A4PARP15PARP10PARP2
SCHEMBL8496446 0.81 CTNNB1 (0.69) CTNNB1MAPTHTTALDH1A1KDM4E
Bicarbonate SCHEMBL21517637 0.81 CTNNB1 (0.69) CTNNB1MAPTHTTALDH1A1KDM4E
SCHEMBL11875755 0.81 CTNNB1 (0.69) CTNNB1MAPTHTTALDH1A1KDM4E
SCHEMBL4129945 0.81 CTNNB1 (0.69) CTNNB1MAPTHTTALDH1A1KDM4E

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-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 WO disclosed