SCHEMBL3086310

SCHEMBL3086310

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.35
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALB P02768 1/20 0.32

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
SCHEMBL3109250 0.96 OTC (0.39) OTCALOX15MEN1CYP1A2KMT2A
SCHEMBL3109225 0.96 OTC (0.39) OTCALOX15MEN1CYP1A2KMT2A
SCHEMBL2991241 0.90 OTC (0.38) OTCALOX15MEN1CYP1A2KMT2A
SCHEMBL3103112 0.88 OTC (0.37) OTCCA12CA1CA2CA9
SCHEMBL3090820 0.87 OTC (0.35) OTCALOX15MEN1CYP1A2KMT2A
SCHEMBL2990907 0.86 OTC (0.41) OTCALOX15MEN1CYP1A2KMT2A
SCHEMBL2990914 0.86 OTC (0.41) OTCALOX15MEN1CYP1A2KMT2A
SCHEMBL3091675 0.84 OTC (0.41) OTCCA12CA1CA2CA9
SCHEMBL3091671 0.84 OTC (0.41) OTCCA12CA1CA2CA9
SCHEMBL3108086 0.83 OTC (0.38) OTCALOX15MEN1CYP1A2KMT2A

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