SCHEMBL2159478

SCHEMBL2159478

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H]([C]=O)CCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.55
ERAP2 Q6P179 2/20 0.50
CASP1 P29466 1/20 0.49
CASP3 P42574 1/20 0.49
CASP4 P49662 1/20 0.49
CASP5 P51878 1/20 0.49
CASP7 P55210 1/20 0.49
CASP9 P55211 1/20 0.49
CASP6 P55212 1/20 0.49
CASP8 Q14790 1/20 0.49
CASP10 Q92851 1/20 0.49
MAGI3 Q5TCQ9 1/20 0.49
CTSC P53634 4/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.47
MMP1 P03956 2/20 0.47
IL1RN P18510 1/20 0.46

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
SCHEMBL30577908 0.87 EDNRA (0.63) EDNRAERAP2CASP1CASP3CASP4
SCHEMBL30839334 0.86 EDNRA (0.61) EDNRAERAP2CASP1CASP3CASP4
SCHEMBL7404432 0.86 EDNRA (0.67) EDNRACASP1CASP3CASP4CASP5
SCHEMBL2193290 0.86 EDNRA (0.56) EDNRAERAP2CASP1CASP3CASP4
SCHEMBL2193967 0.86 BACE1 (0.51) EDNRAERAP2CASP1CASP3CASP4
SCHEMBL1652403 0.86 KDM4E (0.58) ERAP2CTSCKMT2AL3MBTL1IL1RN
SCHEMBL30533184 0.84 EDNRA (0.76) EDNRAERAP2KMT2AL3MBTL1MMP2
SCHEMBL1877671 0.84 ERAP2 (0.64) EDNRAERAP2CASP1CASP3CASP4
SCHEMBL1877672 0.84 ERAP2 (0.64) EDNRAERAP2CASP1CASP3CASP4
SCHEMBL3187724 0.84 ERAP2 (0.55) ERAP2CTSCKMT2AMMP2MMP9

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-7985402-B2 Ultrasound contrast agent of peptide monomers; peptide vectors having high KDR binding affinity; gas filled microvesicle containing a fluorinated gas and a phospholipid BRACCO SUISSE SA (CH) 2011-07-26 US disclosed
US-20080152594-A1 TARGETING VECTOR-PHOSPHOLIPID CONJUGATES BRACCO SUISSE SA (CH) 2008-06-26 US disclosed