SCHEMBL1973241

SCHEMBL1973241

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.35
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
APEX1 P27695 3/20 0.34
CES1 P23141 2/20 0.32
CES2 O00748 1/20 0.31
PPARG P37231 1/20 0.31
ATM Q13315 1/20 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
SCHEMBL1973731 0.94 ZDHHC20 (0.40) HCAR2ZDHHC20PPARG
SCHEMBL147781 0.88 CES1 (0.40) APEX1CES1CES2PPARG
SCHEMBL147780 0.88 CES1 (0.40) APEX1CES1CES2PPARG
SCHEMBL905414 0.88 CES1 (0.40) APEX1CES1CES2PPARG
SCHEMBL2153424 0.83 HCAR2 (0.33) HCAR2
SCHEMBL5885411 0.83 APEX1 (0.37) APEX1CES1CES2PPARG
SCHEMBL1275312 0.83 AKR1B1 (0.45) APEX1CES1CES2PPARG
SCHEMBL1275314 0.83 AKR1B1 (0.45) APEX1CES1CES2PPARG
SCHEMBL1602950 0.82 GPR84 (0.47) APEX1CES1CES2PPARG
SCHEMBL487304 0.82 GPR84 (0.47) APEX1CES1CES2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1803473-B1 Adhesive including medicament UNIV LOMA LINDA MED (US) 2011-06-22 EP claimed
EP-1409033-B1 ADHESIVE INCLUDING MEDICAMENT UNIV LOMA LINDA MED (US) 2006-12-27 EP claimed
EP-1100553-B1 MOISTURE-CURABLE ADHESIVE SUTURE STRIP ADVANCED THERAPEUTIC TECHNOLOG (CA) 2002-06-26 EP claimed