SCHEMBL3097987

SCHEMBL3097987

N=C(N)NCCCC[C@H](NCP(=O)(O)O)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPY4R P50391 10/20 0.35
NPY1R P25929 6/20 0.35
NPY2R P49146 5/20 0.35
NPY5R Q15761 5/20 0.35
OTC P00480 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
ALB P02768 1/20 0.32
PTPN2 P17706 1/20 0.31
PTPN1 P18031 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
SCHEMBL2992625 0.95 OTC (0.37) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL3091575 0.95 OTC (0.37) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL2985776 0.90 OTC (0.38) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL27743692 0.90 OTC (0.38) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL3091869 0.88 CA12 (0.35) OTCCA12CA1CA2CA9
SCHEMBL2991505 0.85 OTC (0.42) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL2991514 0.85 OTC (0.42) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL3108933 0.84 OTC (0.35) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL3100823 0.83 OTC (0.39) OTCCA12CA1CA2CA9
SCHEMBL3100850 0.83 OTC (0.39) OTCCA12CA1CA2CA9

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
US-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US claimed