SCHEMBL4644116

SCHEMBL4644116

O=C(CO)C(=O)C(Br)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.69
CES1 P23141 3/20 0.69
CYP2D6 P10635 1/20 0.40
SRC P12931 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.37
GSR P00390 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR3 Q99500 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL4642828 0.85 CES2 (0.64) CES2CES1CYP2D6SRCLMNA
SCHEMBL4644366 0.82 CES2 (0.67) CES2CES1CYP2D6SRCLMNA
SCHEMBL4644176 0.82 CES2 (0.60) CES2CES1CYP2D6SRCLMNA
SCHEMBL4646377 0.80 CES2 (0.58) CES2CES1CYP2D6SRCLMNA
SCHEMBL27601450 0.79 CES2 (0.62) CES2CES1CYP2D6SRCLMNA
SCHEMBL4642302 0.79 POLB (0.48) CES2CES1CYP2D6SRCLMNA
SCHEMBL956722 0.79 CES2 (0.82) CES2CES1CYP2D6SRCLMNA
SCHEMBL19032790 0.77 CES2 (0.78) CES2CES1CYP2D6SRCLMNA
SCHEMBL4647280 0.77 CES2 (0.58) CES2CES1CYP2D6SRCLMNA
SCHEMBL4647061 0.76 CES2 (0.42) CES2CES1CYP2D6SRCLMNA

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-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed