SCHEMBL7469851

SCHEMBL7469851

CC1=C(C)C(=O)N(CCCN=C=O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL7463339 0.93 ALDH1A1 (0.39) ALDH1A1PKM
SCHEMBL15975535 0.76 ALDH1A1 (0.56) ALDH1A1PKM
SCHEMBL14377618 0.76 ALDH1A1 (0.56) ALDH1A1PKM
SCHEMBL7464004 0.75 ALDH1A1 (0.38) ALDH1A1PKM
SCHEMBL4589431 0.74 MGLL (0.58) ALDH1A1PKM
SCHEMBL10703043 0.74 ALDH1A1 (0.54) ALDH1A1PKM
SCHEMBL15975537 0.74 ALDH1A1 (0.54) ALDH1A1PKM
SCHEMBL240018 0.74 ALDH1A1 (0.54) ALDH1A1PKM
SCHEMBL1985393 0.72 MGLL (0.37) ALDH1A1PKM
SCHEMBL26107057 0.72 MGLL (0.37) ALDH1A1PKM

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-0813546-B1 PHOTOCHEMICALLY CROSS-LINKED POLYSACCHARIDE DERIVATIVES AS SUPPORTS FOR THE CHROMATOGRAPHIC SEPARATION OF ENANTIOMERS NOVARTIS AG (CH) 2002-07-17 EP disclosed
US-6011149-A ESTERIFICATION; CARBAMYLATION NOVARTIS AG (CH) 2000-01-04 US disclosed