SCHEMBL4470308

SCHEMBL4470308

CCCCC(C#N)=C(C(=O)O)C(=O)C(C)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.33
CES2 O00748 1/20 0.32
FFAR1 O14842 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
AKR1B1 P15121 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
GRIK1 P39086 1/20 0.30
GPR84 Q9NQS5 3/20 0.30

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
SCHEMBL4475759 0.83 TP53 (0.31) TP53
SCHEMBL6440023 0.77 CES1 (0.39) CES1CES2FFAR1FFAR4AKR1B1
SCHEMBL4470305 0.74 FNTA (0.39) CES1CES2FFAR1FFAR4AKR1B1
SCHEMBL2404847 0.74 FNTA (0.35) CES1CES2FFAR1FFAR4AKR1B1
SCHEMBL162501 0.72 FNTA (0.46) CES1CES2FFAR1FFAR4AKR1B1
SCHEMBL18606215 0.70 THRB (0.40) CES1CES2FFAR1FFAR4AKR1B1
SCHEMBL21525711 0.70 FNTA (0.45) FFAR1FFAR4AKR1B1ALDH1A1GPR84
SCHEMBL21525719 0.69 FNTA (0.47) FFAR1FFAR4ALDH1A1GPR84
SCHEMBL1274509 0.68 CES1 (0.36) CES1CES2FFAR1FFAR4AKR1B1
SCHEMBL1074445 0.67 FNTA (0.53) CES1CES2FFAR1FFAR4AKR1B1

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-1317294-B2 ABSORBABLE ADHESIVE COMPOSITIONS CLOSURE MEDICAL CORP (US) 2009-09-02 EP claimed
EP-1317294-B1 ABSORBABLE ADHESIVE COMPOSITIONS CLOSURE MEDICAL CORP (US) 2005-03-16 EP claimed