SCHEMBL28763201

SCHEMBL28763201

CCCCCC(=O)OC(N)C(=O)C(CCCNC(=O)OCc1ccccc1)NC(=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.54
CASP1 P29466 1/20 0.48
NMBR P28336 2/20 0.47
SIRT5 Q9NXA8 1/20 0.46
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
IL1RN P18510 3/20 0.45
MMP9 P14780 2/20 0.45
MMP8 P22894 2/20 0.45
MMP2 P08253 1/20 0.44
MMP14 P50281 1/20 0.44
ERAP2 Q6P179 4/20 0.44
LMNA P02545 1/20 0.44
ERAP1 Q9NZ08 3/20 0.44
SIRT2 Q8IXJ6 3/20 0.44
LNPEP Q9UIQ6 2/20 0.44
SIRT1 Q96EB6 2/20 0.43
SIRT3 Q9NTG7 1/20 0.43

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
SCHEMBL5652870 0.83 BMP1 (0.60) BMP1CASP1NMBRSIRT5MAPT
SCHEMBL27656077 0.81 SIRT2 (0.48) SIRT2SIRT1SIRT3
SCHEMBL27656189 0.81 BMP1 (0.54) BMP1CASP1NMBRSIRT5MAPT
SCHEMBL5654676 0.80 BMP1 (0.62) BMP1CASP1NMBRSIRT5MAPT
SCHEMBL28763200 0.77 ANPEP (0.48) SIRT2SIRT1SIRT3
SCHEMBL5655249 0.76 BMP1 (0.61) BMP1NMBRSIRT5MAPTGAA
SCHEMBL8242676 0.74 SIRT5 (0.65) BMP1CASP1NMBRSIRT5MMP9
SCHEMBL8363810 0.74 BMP1 (0.62) BMP1SIRT5MMP9MMP8MMP2
SCHEMBL5652214 0.73 BMP1 (0.64) BMP1NMBRSIRT5MAPTGAA
SCHEMBL1232450 0.73 BMP1 (0.85) BMP1NMBRMAPTGAAHTT

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
CN-1898227-A As prostaglandin E2Ornithine derivatives as agonists or antagonists ASTELLAS PHARMA INC (JP) 2007-01-17 CN disclosed