SCHEMBL4247300

SCHEMBL4247300

C=C(CC)C(N)=O.C=CC(=O)N(O)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.33
ADH1C P00326 1/20 0.33
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL6852961 0.81 TDP1 (0.35) ADH1AADH1CALOX5
SCHEMBL3282807 0.81 ALDH1A1 (0.38) ADH1AADH1CALOX5ALDH1A1
SCHEMBL28153890 0.73 ALDH1A1 (0.34) ALDH1A1
SCHEMBL14413802 0.68 MEN1 (0.47) ADH1AADH1CALDH1A1
SCHEMBL472559 0.68
SCHEMBL10475740 0.67 L3MBTL1 (0.42) ADH1AADH1CALDH1A1
Trimethylammonium SCHEMBL156969 0.66 TDP1 (0.41) ALDH1A1
SCHEMBL28108645 0.66 TDP1 (0.63) ALDH1A1
SCHEMBL25211965 0.66 ADH1A (0.47) ADH1AADH1CALDH1A1
SCHEMBL28796438 0.66

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-2111983-A1 Image recording material and method for its' preparation Fujifilm Corporation (JP) 2009-10-28 EP disclosed