SCHEMBL3103571

SCHEMBL3103571

N=C(N)NCCC[C@@](O)(C(N)=O)N(CP(=O)(O)O)CP(=O)(O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3103548 1.00 ALOX15 (0.32) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL3103653 0.96 ALOX15 (0.34) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL2993478 0.90 ALOX15 (0.31) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL2993466 0.90 ALOX15 (0.31) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL3103122 0.88 CA12 (0.31)
SCHEMBL3103107 0.88 CA12 (0.31)
SCHEMBL2983342 0.86 ALOX15 (0.33) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL3108182 0.79 FDPS (0.44) CYP1A2
SCHEMBL3108202 0.79 FDPS (0.44) CYP1A2
SCHEMBL2990997 0.78 OTC (0.31)

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