SCHEMBL4433591

SCHEMBL4433591

COCOC1(OCC2CO2)C=CC=CC1C(=O)O

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
SCHEMBL10936575 0.74
SCHEMBL6206640 0.69 ALDH1A1 (0.36) ALDH1A1
SCHEMBL5200350 0.68
SCHEMBL8847151 0.67
SCHEMBL8847024 0.65
SCHEMBL2216090 0.64
SCHEMBL27727419 0.64
SCHEMBL4693206 0.64 ALDH1A1 (0.31) ALDH1A1
SCHEMBL6948836 0.62 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4430477 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118086-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEREOF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS 4SC AG (DE) 2009-11-18 EP disclosed
WO-2008090140-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEREOF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS 4SC AG (DE) 2008-07-31 WO disclosed