SCHEMBL4450408

SCHEMBL4450408

CSCC[C@H](NCCO)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.41
GAA P10253 1/20 0.41
FOLH1 Q04609 1/20 0.41
CA2 P00918 2/20 0.40
MAPK1 P28482 2/20 0.40
CA1 P00915 1/20 0.40
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
PGGT1B P53609 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40

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
Acrylic Acid SCHEMBL459617 0.91 ALDH1A1 (0.40) RNPEPLMNAALDH1A1NPSR1KDM4E
SCHEMBL17004002 0.89 LMNA (0.43) RNPEPLMNAALDH1A1NPSR1KDM4E
SCHEMBL149342 0.89 RNPEP (0.48) RNPEPLMNAALDH1A1NPSR1KDM4E
SCHEMBL8755755 0.89 RNPEP (0.48) RNPEPLMNAALDH1A1NPSR1KDM4E
SCHEMBL2118362 0.85 RNPEP (0.46) RNPEPLMNAALDH1A1NPSR1KDM4E
SCHEMBL2118366 0.85 RNPEP (0.46) RNPEPLMNAALDH1A1NPSR1KDM4E
SCHEMBL5179354 0.85 RNPEP (0.48) RNPEPLMNAALDH1A1NPSR1KDM4E
SCHEMBL5179360 0.85 RNPEP (0.48) RNPEPLMNAALDH1A1NPSR1KDM4E
SCHEMBL2494626 0.84 GGT1 (0.57) RNPEPLMNAALDH1A1NPSR1KDM4E
SCHEMBL25555058 0.84 LMNA (0.48) RNPEPLMNAALDH1A1NPSR1KDM4E

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-2130071-A2 LIGHT FILTERS COMPRISING A NATURALLY OCCURRING CHROMOPHORE AND DERIVATIVES THEREOF Benz Research and Development Corporation (US) 2009-12-09 EP claimed
WO-2008109624-A2 LIGHT FILTERS COMPRISING A NATURALLY OCCURRING CHROMOPHORE AND DERIVATIVES THEREOF BENZ RESEARCH AND DEVELOPMENT CORP. (US) 2008-09-12 WO claimed