SCHEMBL4645993

SCHEMBL4645993

CC(C)(C)C(=O)C(=O)CCCO

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.42
CES1 P23141 6/20 0.36
CES2 O00748 5/20 0.36
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTGS1 P23219 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL4647735 0.93 GPR84 (0.42) CAMK2ACES1CES2GPR84FFAR1
SCHEMBL4648044 0.84 CES2 (0.30) CES1CES2
SCHEMBL78456 0.80 CES1 (0.62) CES1CES2GPR84TDP1
SCHEMBL4645915 0.78 CES1 (0.35) CES1CES2
SCHEMBL5475220 0.78 CES1 (0.64) CES1CES2GPR84FFAR1FFAR4
SCHEMBL5514001 0.76 CES2 (0.65) CES1CES2GPR84FFAR1FFAR4
SCHEMBL4647229 0.76 CES1 (0.37) CES1CES2
SCHEMBL27620252 0.76 ALDH1A1 (0.46) CES1CES2
SCHEMBL4646519 0.75 CAMK2A (0.42) CAMK2ACES1CES2GPR84FFAR1
SCHEMBL4643614 0.75 CAMK2A (0.42) CAMK2ACES1CES2GPR84FFAR1

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