SCHEMBL2160273

SCHEMBL2160273

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 4/20 0.52
GHSR Q92847 1/20 0.52
ERBB2 P04626 1/20 0.52
MMP2 P08253 2/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP1 P03956 1/20 0.51
CTSC P53634 2/20 0.50
CASP1 P29466 1/20 0.48
CASP3 P42574 1/20 0.48
CASP4 P49662 1/20 0.48
CASP5 P51878 1/20 0.48
CASP7 P55210 1/20 0.48
CASP9 P55211 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48
CASP10 Q92851 1/20 0.48
ACE P12821 2/20 0.48
MAGI3 Q5TCQ9 1/20 0.48
IL1RN P18510 3/20 0.48

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
SCHEMBL4375898 0.91 ERBB2 (0.55) ERAP2ERBB2MMP2MMP9MMP8
SCHEMBL1650372 0.86 ERAP2 (0.51) ERAP2GHSRERBB2MMP2MMP9
SCHEMBL16468642 0.86 CTSC (0.66) ERAP2MMP2MMP9MMP8MMP1
SCHEMBL3187724 0.85 ERAP2 (0.55) ERAP2MMP2MMP9MMP8MMP1
SCHEMBL3187737 0.85 ERAP2 (0.55) ERAP2MMP2MMP9MMP8MMP1
SCHEMBL30988893 0.85 ACE (0.61) ERAP2GHSRACEMAGI3ECE1
SCHEMBL2183811 0.83 CTSC (0.70) ERAP2CTSCMAGI3CCKBRECE1
SCHEMBL2193237 0.83 GHSR (0.61) GHSRMMP2MMP9MMP8MMP1
SCHEMBL30799670 0.82 GHSR (0.68) ERAP2GHSRMMP9MMP8MMP1
SCHEMBL2191649 0.82 ERAP2 (0.53) ERAP2GHSRMMP2MMP9MMP8

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