SCHEMBL2873941

SCHEMBL2873941

O=C(O)CC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.63
ECE1 P42892 2/20 0.63
CASP3 P42574 2/20 0.62
CASP1 P29466 1/20 0.62
CASP9 P55211 1/20 0.62
NAALAD2 Q9Y3Q0 2/20 0.61
ACE P12821 1/20 0.58
CTSL P07711 3/20 0.57
TACR1 P25103 2/20 0.57
CASP7 P55210 1/20 0.56
FOLH1 Q04609 1/20 0.56
CTSB P07858 1/20 0.56
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56

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
SCHEMBL14778231 1.00 MME (0.63) MMEECE1CASP3CASP1CASP9
SCHEMBL14433746 0.96 ECE1 (0.63) MMEECE1CASP3CASP1CASP9
SCHEMBL13884433 0.96 ECE1 (0.63) MMEECE1CASP3CASP1CASP9
SCHEMBL6552944 0.96 ECE1 (0.63) MMEECE1CASP3CASP1CASP9
SCHEMBL13589992 0.96 ECE1 (0.63) MMEECE1CASP3CASP1CASP9
SCHEMBL6552949 0.96 ECE1 (0.63) MMEECE1CASP3CASP1CASP9
SCHEMBL10397579 0.95 MME (0.67) MMEECE1NAALAD2ACECTSL
SCHEMBL13957718 0.91 MME (0.64) MMEECE1CASP3CASP1CASP9
SCHEMBL13884435 0.91 MME (0.64) MMEECE1CASP3CASP1CASP9
SCHEMBL1426719 0.91 MME (0.64) MMEECE1CASP3CASP1CASP9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729464-B2 Method for determining stage of chronic kidney disease, device therefor and method for operating the same Tanaka, Noriaki (JP) 2014-05-20 US disclosed
EP-2579033-A1 METHOD FOR DETERMINING STAGE OF CHRONIC KIDNEY DISEASE, DEVICE THEREFOR AND METHOD FOR OPERATING THE SAME Tanaka, Noriaki (JP) 2013-04-10 EP disclosed
US-20130068945-A1 METHOD FOR DETERMINING STAGE OF CHRONIC KIDNEY DISEASE, DEVICE THEREFOR AND METHOD FOR OPERATING THE SAME Tanaka, Noriaki (JP) 2013-03-21 US disclosed
WO-2010126146-A1 METHOD OR APPARATUS FOR DETERMINATION OF SEVERITY OF RENAL DISEASES AND METHOD FOR OPERATION OF THE APPARATUS TANAKA NORIAKI (JP) 2010-11-04 WO disclosed