SCHEMBL4642828

SCHEMBL4642828

O=C(CCO)C(=O)C(Br)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.64
CES1 P23141 2/20 0.64
CYP2D6 P10635 2/20 0.38
SRC P12931 1/20 0.38
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
GSR P00390 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP1A2 P05177 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL4644176 0.89 CES2 (0.60) CES2CES1CYP2D6SRCLMNA
SCHEMBL4646377 0.88 CES2 (0.58) CES2CES1CYP2D6SRCLMNA
SCHEMBL4644116 0.85 CES2 (0.69) CES2CES1CYP2D6SRCLMNA
SCHEMBL27601450 0.84 CES2 (0.62) CES2CES1CYP2D6SRCLMNA
SCHEMBL4646786 0.81 TDP1 (0.45) CES2CES1CYP2D6SRCLMNA
SCHEMBL4647280 0.81 CES2 (0.58) CES2CES1CYP2D6SRCLMNA
SCHEMBL27620008 0.80 CES2 (0.57) CES2CES1CYP2D6SRCLMNA
SCHEMBL4647622 0.80 CES2 (0.57) CES2CES1CYP2D6LMNATDP1
SCHEMBL4644366 0.79 CES2 (0.67) CES2CES1CYP2D6SRCLMNA
SCHEMBL4645492 0.78 MEN1 (0.41) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100519671-C Film-forming polymer and antifouling paint JOTUN AS (NO) 2009-07-29 CN disclosed
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
CN-1643085-A Film-forming polymer and antifouling paint JOTUN AS (NO) 2005-07-20 CN 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