SCHEMBL4645784

SCHEMBL4645784

CC(C)(C)CC(=O)C(=O)CCCCO

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.42
CES2 O00748 6/20 0.42
GPR84 Q9NQS5 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32

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
SCHEMBL4645363 0.93 CES1 (0.40) CES1CES2GPR84FFAR1FFAR4
SCHEMBL4641457 0.83 CES2 (0.35) CES1CES2
SCHEMBL4644498 0.80 CES2 (0.41) CES1CES2
SCHEMBL2528979 0.79 GPR84 (0.42) GPR84FFAR1FFAR4SMN1; SMN2KDM4E
SCHEMBL2529087 0.77 FFAR1 (0.46) GPR84FFAR1FFAR4SMN1; SMN2KDM4E
SCHEMBL4643992 0.77 CES1 (0.39) CES1CES2
SCHEMBL2526451 0.77 FFAR1 (0.46) GPR84FFAR1FFAR4SMN1; SMN2KDM4E
SCHEMBL14914212 0.77 HMGCR (0.40) CES1CES2FFAR1SMN1; SMN2KDM4E
SCHEMBL27601407 0.76 ALDH1A1 (0.44) CES1CES2
SCHEMBL4647735 0.74 GPR84 (0.42) CES1CES2GPR84FFAR1FFAR4

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
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