SCHEMBL4643571

SCHEMBL4643571

O=C(CCO)C(=O)Cc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.74
CES2 O00748 2/20 0.74
FNTA P49354 2/20 0.61
FNTB P49356 2/20 0.61
AKR1B1 P15121 1/20 0.54
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC6A2 P23975 1/20 0.46
TSHR P16473 1/20 0.46
KEAP1 Q14145 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CTBP2 P56545 1/20 0.44
EPHX2 P34913 1/20 0.44
PAM P19021 2/20 0.42
HDAC3 O15379 1/20 0.42

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
SCHEMBL4641942 0.88 CES1 (0.68) CES1CES2FNTAFNTBAKR1B1
SCHEMBL574185 0.86 CES1 (1.00) CES1CES2FNTAFNTBAKR1B1
SCHEMBL4642124 0.86 CES1 (0.65) CES1CES2FNTAFNTBAKR1B1
Hydrochloric Acid SCHEMBL3111570 0.84 CES1 (0.94) CES1CES2FNTAFNTBAKR1B1
SCHEMBL6629478 0.83 CES2 (0.74) CES1CES2FNTAFNTBAKR1B1
SCHEMBL4645081 0.82 CES1 (0.81) CES1CES2FNTAFNTBAKR1B1
SCHEMBL4645204 0.81 CES1 (0.71) CES1CES2FNTAFNTBAKR1B1
SCHEMBL6010224 0.81 CES2 (0.71) CES1CES2FNTAFNTBAKR1B1
SCHEMBL9421024 0.80 TDP1 (0.56) CES1CES2FNTAFNTBAKR1B1
SCHEMBL4646613 0.79 EGFR (0.46) CES1CES2FNTAFNTBMEN1

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