SCHEMBL362589

SCHEMBL362589

CC(=NO)C(c1cccc(C#CCO)c1)(c1ccnc(C)c1)c1ccccc1C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL362228 0.91 ALDH1A1 (0.31) ALDH1A1
SCHEMBL364180 0.83 GPBAR1 (0.35)
SCHEMBL364217 0.81 GPBAR1 (0.30)
SCHEMBL364971 0.80 GPBAR1 (0.31)
SCHEMBL364143 0.79 FFAR1 (0.35) ALDH1A1
SCHEMBL363805 0.78 GPBAR1 (0.31)
SCHEMBL364263 0.78 GPBAR1 (0.31)
SCHEMBL362932 0.78 RAB9A (0.33)
SCHEMBL364539 0.77 POLB (0.32)
SCHEMBL364836 0.77 POLB (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP claimed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO claimed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed