SCHEMBL13547737

SCHEMBL13547737

OC1C=CCC2CCCCC12

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL13547750 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL9887453 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL9886965 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL18977624 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL12554581 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL9887449 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8442364 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8990234 0.70
SCHEMBL8203385 0.67 CCR5 (0.33)
SCHEMBL3004330 0.65

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-2010001933-A1 HISTONE MODIFICATION INHIBITOR SPECIFIC TO TARGET GENE 学校法人日本大学 (JP) 2010-01-07 WO disclosed