SCHEMBL4644076

SCHEMBL4644076

O=C(CCCCO)C(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
FAAH O00519 8/20 0.37
CES1 P23141 7/20 0.35
CES2 O00748 4/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CAMK2A Q9UQM7 1/20 0.35
ATR Q13535 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 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
SCHEMBL4646519 0.93 CAMK2A (0.42) GPR84FFAR1FFAR4FAAHCES1
SCHEMBL4641469 0.82 FAAH (0.31) FAAHCES1CES2MEN1CYP1A2
SCHEMBL4643620 0.79 FAAH (0.35) FAAHCES1CES2MEN1CYP1A2
SCHEMBL29794313 0.77 CES1 (0.63) FAAHCES1CES2MEN1CYP1A2
SCHEMBL4646118 0.76 FAAH (0.32) FAAHCES1CES2SMN1; SMN2MEN1
SCHEMBL4647735 0.76 GPR84 (0.42) GPR84FFAR1FFAR4CES1CES2
SCHEMBL4644156 0.76 GPR84 (0.42) GPR84FFAR1FFAR4CES1CES2
SCHEMBL4642319 0.76 GPR84 (0.42) GPR84FFAR1FFAR4CES1CES2
SCHEMBL10389160 0.75 FAAH (0.62) GPR84FFAR1FFAR4FAAHCES1
SCHEMBL10388810 0.73 FAAH (0.64) GPR84FFAR1FFAR4FAAHCES1

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