SCHEMBL5072437

SCHEMBL5072437

C/C(C(=O)O)=C(/O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.52
CES2 O00748 4/20 0.52
MAPT P10636 5/20 0.50
TSHR P16473 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP3A4 P08684 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 2/20 0.50
HSD17B10 Q99714 2/20 0.50
PARP1 P09874 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
F2 P00734 1/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 2/20 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
CA2 P00918 2/20 0.44

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
SCHEMBL1562534 1.00 CES1 (0.52) CES1CES2MAPTTSHRL3MBTL1
SCHEMBL1562541 1.00 CES1 (0.52) CES1CES2MAPTTSHRL3MBTL1
SCHEMBL26663883 0.85 CES1 (0.58) CES1CES2MAPTTSHRL3MBTL1
SCHEMBL367456 0.82 CES1 (0.54) CES1CES2MAPTTSHRL3MBTL1
SCHEMBL367453 0.82 CES1 (0.54) CES1CES2MAPTTSHRL3MBTL1
SCHEMBL1232452 0.82 CES1 (0.54) CES1CES2MAPTTSHRL3MBTL1
SCHEMBL631412 0.81 TSHR (0.58) CES1CES2MAPTTSHRL3MBTL1
SCHEMBL631411 0.81 TSHR (0.58) CES1CES2MAPTTSHRL3MBTL1
SCHEMBL585335 0.80 CES1 (0.52) CES1CES2MAPTTSHRL3MBTL1
SCHEMBL23198593 0.79 CA12 (0.59) MAPTCYP3A4HSD17B10PARP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1476181-A4 POLYALKYLENE POLYMER COMPOUNDS AND USES THEREOF BIOGEN IDEC INC (US) 2008-11-19 EP disclosed
EP-1476181-A2 POLYALKYLENE POLYMER COMPOUNDS AND USES THEREOF Biogen Idec MA Inc. (US) 2004-11-17 EP disclosed
WO-2003061577-A2 POLYALKYLENE GLYCOL WITH MOIETY FOR CONJUGATING BIOLOGICALLY ACTIVE COMPOUND BIOGEN IDEC MA INC. (US) 2003-07-31 WO disclosed