SCHEMBL5311779

SCHEMBL5311779

CCCCCCCCCCCCCCCCCC(=O)C(O)O

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.64
FFAR4 Q5NUL3 1/20 0.57
FFAR1 O14842 1/20 0.57
CES1 P23141 3/20 0.56
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
GPR84 Q9NQS5 1/20 0.54

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
SCHEMBL1080623 1.00 CES2 (0.64) CES2FFAR4FFAR1CES1ALDH1A1
SCHEMBL5311427 1.00 CES2 (0.64) CES2FFAR4FFAR1CES1ALDH1A1
SCHEMBL5307291 1.00 CES2 (0.64) CES2FFAR4FFAR1CES1ALDH1A1
SCHEMBL1712783 1.00 CES2 (0.64) CES2FFAR4FFAR1CES1ALDH1A1
SCHEMBL10507922 1.00 CES2 (0.64) CES2FFAR4FFAR1CES1ALDH1A1
SCHEMBL1165489 0.97 CES2 (0.60) CES2FFAR4FFAR1CES1
Phosphoric Acid SCHEMBL2936662 0.91 CES2 (0.55) CES2FFAR4FFAR1
Phosphoric Acid SCHEMBL11141469 0.91 CES2 (0.55) CES2FFAR4FFAR1
SCHEMBL3126476 0.90
SCHEMBL3178705 0.85 CES2 (0.64) CES2CES1ALDH1A1TSHRSLC22A6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007031184-A2 METHOD FOR PRODUCING ETHERS FROM ACYL- COMPOUNDS AND LONG-CHAINED ALCOHOLS USING AN ALKYLDIHYDROXYACETON PHOSPHATE SYNTHESIS EVONIK GOLDSCHMIDT GMBH (DE) 2007-03-22 WO disclosed
US-20070059789-A1 Process for the enzymatic synthesis of ethers GOLDSCHMIDT GMBH (DE) 2007-03-15 US disclosed