SCHEMBL13645142

SCHEMBL13645142

CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 3/20 0.61
GNPAT O15228 1/20 0.46
SIRT5 Q9NXA8 2/20 0.44
MMP1 P03956 1/20 0.40
MMP8 P22894 1/20 0.40
TASP1 Q9H6P5 1/20 0.39
ECE1 P42892 3/20 0.38
CPA1 P15085 1/20 0.37
CPA2 P48052 1/20 0.37
CPA4 Q9UI42 1/20 0.37
PTPN1 P18031 1/20 0.36
SELE P16581 2/20 0.36
SELL P14151 3/20 0.36
SELP P16109 3/20 0.36

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
SCHEMBL16152186 0.96 BMP1 (0.54) BMP1GNPATSIRT5MMP1MMP8
SCHEMBL31514542 0.87 GNPAT (0.59) BMP1GNPATSIRT5ECE1
SCHEMBL11933753 0.87 BMP1 (0.55) BMP1GNPATSIRT5
SCHEMBL13930092 0.85 SIRT5 (0.47) BMP1GNPATSIRT5TASP1ECE1
SCHEMBL30717266 0.85 GNPAT (0.57) BMP1GNPATSIRT5CPA1CPA2
SCHEMBL17192782 0.85 SIRT5 (0.50) BMP1GNPATSIRT5TASP1CPA1
SCHEMBL2248726 0.85 GNPAT (0.57) BMP1GNPATSIRT5CPA1CPA2
SCHEMBL6519720 0.85 SIRT5 (0.56) BMP1GNPATSIRT5TASP1CPA1
SCHEMBL16729165 0.85 BMP1 (0.59) BMP1GNPATSIRT5MMP1MMP8
SCHEMBL13930091 0.84 ECE1 (0.47) BMP1GNPATSIRT5TASP1ECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7597875-B2 Diaminedioxime radiometal complexes GE HEALTHCARE LIMITED (GB) 2009-10-06 US disclosed
US-7597875-B2 Diaminedioxime radiometal complexes GE HEALTHCARE LIMITED (GB) 2009-10-06 US disclosed