SCHEMBL4646377

SCHEMBL4646377

O=C(CCCCO)C(=O)C(Br)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.58
CES1 P23141 5/20 0.58
CCR3 P51677 1/20 0.35
ESR2 Q92731 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2D6 P10635 1/20 0.34
SRC P12931 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TBXAS1 P24557 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 0.95 CES2 (0.60) CES2CES1CCR3ESR2LMNA
SCHEMBL4642828 0.88 CES2 (0.64) CES2CES1L3MBTL1LMNATDP1
SCHEMBL4647622 0.85 CES2 (0.57) CES2CES1L3MBTL1LMNAMAPT
SCHEMBL4647280 0.83 CES2 (0.58) CES2CES1LMNACYP2D6SRC
SCHEMBL4642623 0.83 TDP1 (0.41) CES2CES1GPR84FFAR1FFAR4
SCHEMBL27620008 0.82 CES2 (0.57) CES2CES1LMNACYP2D6SRC
SCHEMBL4644116 0.80 CES2 (0.69) CES2CES1L3MBTL1LMNATDP1
SCHEMBL4642378 0.80 MEN1 (0.38) CES2CES1CCR3ESR2GPR84
SCHEMBL27601450 0.79 CES2 (0.62) CES2CES1LMNAMAPTCYP2D6
SCHEMBL4643576 0.77 TDP1 (0.42) CES2CES1CCR3L3MBTL1TDP1

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