SCHEMBL6665836

SCHEMBL6665836

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

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HCAR2 Q8TDS4 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
SCHEMBL1275042 0.91 ALDH1A1 (0.40) ALDH1A1
SCHEMBL1275055 0.87 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1275405 0.81 ALDH1A1 (0.37) ALDH1A1
SCHEMBL1275037 0.81 APEX1 (0.36) ALDH1A1
SCHEMBL1973731 0.79 ZDHHC20 (0.40) ALDH1A1HCAR2
SCHEMBL1275372 0.78 ALDH1A1 (0.37) ALDH1A1
SCHEMBL1973241 0.78 HCAR2 (0.37) HCAR2
SCHEMBL3241550 0.74 APEX1 (0.43) ALDH1A1
SCHEMBL3241555 0.74 APEX1 (0.43) ALDH1A1
SCHEMBL1275404 0.74 ZDHHC20 (0.40) ALDH1A1HCAR2

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
WO-2004024467-A2 SURFACE-MOUNTING SYSTEM LOCTITE (R & D) LIMITED (IE) 2004-03-25 WO claimed