SCHEMBL11523645

SCHEMBL11523645

CCCCC(C)(O)OC(=O)C=CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.51
ATM Q13315 1/20 0.40
PLA2G1B P04054 2/20 0.33
ATG4B Q9Y4P1 2/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL7949519 0.84 HCAR2 (0.53) HCAR2ATMPLA2G1BATG4BACHE
SCHEMBL7949527 0.84 HCAR2 (0.53) HCAR2ATMPLA2G1BATG4BACHE
SCHEMBL10837365 0.81 HCAR2 (0.50) HCAR2ATMPLA2G1BATG4BACHE
SCHEMBL8467697 0.79 HCAR2 (0.51) HCAR2ATMPLA2G1BATG4BACHE
SCHEMBL28345184 0.79 TSHR (0.48) ATM
SCHEMBL29041003 0.78 HCAR2 (0.56) HCAR2ATMPLA2G1BATG4B
SCHEMBL10426087 0.77 HCAR2 (0.50) HCAR2ATMACHEBACE1
SCHEMBL10396415 0.77 HCAR2 (0.50) HCAR2ATMACHEBACE1
SCHEMBL11749694 0.77 HCAR2 (0.50) HCAR2ATM
SCHEMBL9328096 0.77 HCAR2 (0.50) HCAR2ATM

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-4153640-A POLYALKYLHYDROGENSILOXANE, HYDROXYALKYL ACRYLATE CIBA-GEIGY CORPORATION (US) 1979-05-08 US disclosed