SCHEMBL3283192

SCHEMBL3283192

C=CCC=CCC(C(=O)O)=C(N)CC=C

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 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
SCHEMBL731667 0.84 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4562297 0.84 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1489417 0.71 ALDH1A1 (0.34) ALDH1A1
SCHEMBL5606297 0.71
SCHEMBL471839 0.71
SCHEMBL23749589 0.70 ALOX15 (0.40) ALDH1A1CYP2D6ALOX15
SCHEMBL3264414 0.69 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8570759 0.69 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8760520 0.69 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8760513 0.69 ALDH1A1 (0.35) ALDH1A1

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
EP-1740302-B1 PARTICULATE COMPOSITIONS AND THEIR MANUFACTURE CIBA SPEC CHEM WATER TREAT LTD (GB) 2010-06-23 EP claimed