SCHEMBL2483933

SCHEMBL2483933

CCCCC(O)C(=O)[O-].CCCCC(O)C(=O)[O-].CCCCC(O)C(=O)[O-].[B+3]

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.54
GPR84 Q9NQS5 4/20 0.50
CA1 P00915 2/20 0.50
FFAR1 O14842 1/20 0.50
NFKB1 P19838 3/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CA4 P22748 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL29572976 0.95 CA2 (0.54) CA2GPR84CA1FFAR1NFKB1
SCHEMBL29800285 0.95 CA2 (0.54) CA2GPR84CA1FFAR1NFKB1
SCHEMBL6535441 0.95 CA2 (0.54) CA2GPR84CA1FFAR1NFKB1
SCHEMBL30463176 0.95 CA2 (0.54) CA2GPR84CA1FFAR1NFKB1
Potassium Ion SCHEMBL29800416 0.95 CA2 (0.54) CA2GPR84CA1FFAR1NFKB1
SCHEMBL31257325 0.95 CA2 (0.54) CA2GPR84CA1FFAR1NFKB1
SCHEMBL28427993 0.95 CA2 (0.59) CA2GPR84CA1FFAR1NFKB1
SCHEMBL6865427 0.95 CA2 (0.54) CA2GPR84CA1FFAR1NFKB1
Ammonia Solution, Strong SCHEMBL8757949 0.93 CA2 (0.52) CA2GPR84CA1FFAR1NFKB1
SCHEMBL10958047 0.88 GPR84 (0.59) CA2GPR84CA1FFAR1NFKB1

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
EP-2379618-A1 PRODUCTION OF NON-WOVEN MATERIALS FROM POLYHYDROXYALKANOATE Metalbolix Inc. (US) 2011-10-26 EP disclosed
WO-2010075530-A1 PRODUCTION OF NON-WOVEN MATERIALS FROM POLYHYDROXYALKANOATE METABOLIX, INC. (US) 2010-07-01 WO disclosed