SCHEMBL3097891

SCHEMBL3097891

NC(=O)C(Cc1ccc(O)c(O)c1)N(CP(=O)(O)O)CP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.47
KDM4E B2RXH2 5/20 0.47
HIF1A Q16665 5/20 0.47
HSD17B10 Q99714 5/20 0.47
RECQL P46063 4/20 0.47
TDP1 Q9NUW8 4/20 0.47
USP2 O75604 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
HTR2A P28223 2/20 0.47
PTGS2 P35354 2/20 0.47
EGFR P00533 2/20 0.47
PTGS1 P23219 2/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
SLC7A5 Q01650 1/20 0.47
KDM6B O15054 1/20 0.44
PLA2G1B P04054 1/20 0.42
ALOX12 P18054 4/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 3/20 0.41

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
SCHEMBL2987512 0.87 KDM6B (0.53) ALOX15KDM4EHIF1AHSD17B10RECQL
SCHEMBL2987516 0.87 KDM6B (0.53) ALOX15KDM4EHIF1AHSD17B10RECQL
SCHEMBL3106082 0.84 SLC7A5 (0.42) SLC7A5ESR1SLC6A2CA1CA2
SCHEMBL3106093 0.84 SLC7A5 (0.42) SLC7A5ESR1SLC6A2CA1CA2
SCHEMBL3091879 0.80 LAP3 (0.51) PTGS1SLC7A5ALDH1A1POLBCYP1A2
SCHEMBL3091871 0.80 LAP3 (0.51) PTGS1SLC7A5ALDH1A1POLBCYP1A2
SCHEMBL3098872 0.75 ALOX15 (0.57) ALOX15KDM4EHIF1AHSD17B10RECQL
SCHEMBL27997874 0.72 LAP3 (0.58) ALOX15KDM4EHIF1AHSD17B10RECQL
SCHEMBL2992444 0.71 SLC7A5 (0.47) SLC7A5MEN1ESR1KMT2APOLB
SCHEMBL2992448 0.71 SLC7A5 (0.47) SLC7A5MEN1ESR1KMT2APOLB

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