SCHEMBL3103472

SCHEMBL3103472

N=C(N)NCCCC(C(N)=O)N(CCP(=O)(O)O)CCP(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.38
ALOX15 P16050 1/20 0.31
ALB P02768 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2994242 0.90 OTC (0.40) OTCALOX15ALB
SCHEMBL3109225 0.86 OTC (0.39) OTCALOX15MEN1CYP1A2KMT2A
SCHEMBL3109250 0.86 OTC (0.39) OTCALOX15MEN1CYP1A2KMT2A
SCHEMBL3086310 0.82 OTC (0.35) OTCALOX15ALBMEN1CYP1A2
SCHEMBL3094184 0.79 LMNA (0.44) CYP1A2
SCHEMBL3108086 0.79 OTC (0.38) OTCALOX15MEN1CYP1A2KMT2A
SCHEMBL3108101 0.79 OTC (0.38) OTCALOX15MEN1CYP1A2KMT2A
SCHEMBL3098014 0.78 LMNA (0.42) CYP1A2
SCHEMBL18796569 0.78 ALOX15 (0.35) ALOX15ALBMEN1CYP1A2KMT2A
Hydrochloric Acid SCHEMBL18796568 0.77 ALOX15 (0.34) ALOX15ALBMEN1CYP1A2KMT2A

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