SCHEMBL6440023

SCHEMBL6440023

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.39
CES2 O00748 6/20 0.39
CA1 P00915 1/20 0.35
HAO1 Q9UJM8 1/20 0.33
ALDH1A1 P00352 3/20 0.32
AKR1B1 P15121 1/20 0.32
TP53 P04637 1/20 0.32
OR51E2 Q9H255 1/20 0.32
PPARG P37231 4/20 0.31
PPARD Q03181 4/20 0.31
PPARA Q07869 4/20 0.31
TSHR P16473 3/20 0.31
GPR84 Q9NQS5 3/20 0.31
HDAC11 Q96DB2 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
TLR2 O60603 1/20 0.31
MEN1 O00255 1/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL6443118 0.82 OR51E2 (0.37) OR51E2
SCHEMBL4470308 0.77 CES1 (0.33) CES1CES2ALDH1A1AKR1B1TP53
SCHEMBL162501 0.74 FNTA (0.46) CES1CES2CA1ALDH1A1AKR1B1
SCHEMBL18606215 0.73 THRB (0.40) CES1CES2CA1ALDH1A1AKR1B1
SCHEMBL6440025 0.72 CES1 (0.39) CES1CES2CA1HAO1ALDH1A1
SCHEMBL1274509 0.70 CES1 (0.36) CES1CES2CA1HAO1ALDH1A1
SCHEMBL1074445 0.69 FNTA (0.53) CES1CES2ALDH1A1AKR1B1OR51E2
SCHEMBL18606216 0.69 FNTA (0.44) CES1CES2CA1ALDH1A1AKR1B1
SCHEMBL1074447 0.69 FNTA (0.53) CES1CES2ALDH1A1AKR1B1OR51E2
SCHEMBL21525695 0.69 ALDH1A1 (0.38) CES1CES2ALDH1A1AKR1B1TP53

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