SCHEMBL8729212

SCHEMBL8729212

CCCCC(=O)C(C)CCCCCCCCCCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
FFAR4 Q5NUL3 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
FFAR1 O14842 1/20 0.44
CES2 O00748 1/20 0.44
LTA4H P09960 1/20 0.43
BLM P54132 1/20 0.42

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
SCHEMBL7640394 0.94 BLM (0.48) CA1CES2LTA4HBLM
SCHEMBL11115354 0.88 CA1 (0.57) CA1FFAR4ACE2FFAR1CES2
SCHEMBL10904395 0.88 CA1 (0.57) CA1FFAR4ACE2FFAR1CES2
SCHEMBL10904396 0.88 CA1 (0.57) CA1FFAR4ACE2FFAR1CES2
SCHEMBL9073848 0.88 CA1 (0.57) CA1FFAR4ACE2FFAR1CES2
SCHEMBL3099302 0.87 CA1 (0.50) CA1CES2LTA4H
SCHEMBL10904102 0.87 CA1 (0.50) CA1CES2LTA4H
SCHEMBL29087881 0.85 CA1 (0.59) CA1FFAR4ACE2FFAR1CES2
Acetamide SCHEMBL27729703 0.85 CA1 (0.50) CA1FFAR4ACE2FFAR1CES2
SCHEMBL9658743 0.85 FFAR4 (0.46) CA1FFAR4ACE2FFAR1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5814410-A AMINOPLAST CURING AGENT, AUTOMOBILES, POLYMER WITH UREA OR CARBAMATE FUNCTIONALITY PPG INDUSTRIES, INC. (US) 1998-09-29 US disclosed