SCHEMBL4644022

SCHEMBL4644022

O=C(CCCCCl)C(=O)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.63
CES1 P23141 2/20 0.63
FNTA P49354 2/20 0.53
FNTB P49356 2/20 0.53
AKR1B1 P15121 1/20 0.47
MAPT P10636 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 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
SCHEMBL4644050 0.94 CES1 (0.65) CES2CES1FNTAFNTBAKR1B1
SCHEMBL4645204 0.86 CES1 (0.71) CES2CES1FNTAFNTBAKR1B1
SCHEMBL4644594 0.84 HDAC3 (0.44) CES2CES1FNTAFNTBMAPT
SCHEMBL4642124 0.83 CES1 (0.65) CES2CES1FNTAFNTBAKR1B1
SCHEMBL6594686 0.83 L3MBTL1 (0.50) CES2CES1FNTAFNTBAKR1B1
SCHEMBL4644481 0.82 GAA (0.42) CES2CES1FNTAFNTBHDAC8
SCHEMBL27619986 0.81 CES1 (0.63) CES2CES1FNTAFNTBAKR1B1
SCHEMBL8859766 0.81 L3MBTL1 (0.49) CES2CES1AKR1B1MAPTRXFP1
SCHEMBL4641942 0.81 CES1 (0.68) CES2CES1FNTAFNTBAKR1B1
SCHEMBL28143905 0.80 MEN1 (0.64) CES2CES1FNTAFNTBMEN1

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