SCHEMBL4888010

SCHEMBL4888010

C=C(C)C(=O)NCC(=O)NCC(=O)O.NCCCC[C@@H](C(=O)O)N(c1ccccn1)c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.36
F10 P00742 2/20 0.33
EPOR P19235 3/20 0.33
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
PRSS1 P07477 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CTSK P43235 1/20 0.32
EPHX2 P34913 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
HRH2 P25021 1/20 0.31
FAP Q12884 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGAV P06756 1/20 0.30
ITGA2B P08514 1/20 0.30
ITGB5 P18084 1/20 0.30
ITGB6 P18564 1/20 0.30

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
SCHEMBL2475253 0.81 CTSK (0.39) F2EPORCTSKEPHX2PPARG
SCHEMBL2475256 0.81 CTSK (0.39) F2EPORCTSKEPHX2PPARG
SCHEMBL4896385 0.74 POLB (0.31) F2F10ALDH1A1GAAHPGD
SCHEMBL4896400 0.74 POLB (0.31) F2F10ALDH1A1GAAHPGD
SCHEMBL4896345 0.72 ALDH1A1 (0.30) ALDH1A1GAAHPGDKDM4E
SCHEMBL28420962 0.68 EPOR (0.37) F2EPORCTSKPPARGPPARA
SCHEMBL5013251 0.67 FOLH1 (0.50) ITGB3ITGA2B
SCHEMBL5013249 0.67 FOLH1 (0.50) ITGB3ITGA2B
SCHEMBL366720 0.66 EGLN1 (0.47) ALDH1A1HPGDKDM4E
SCHEMBL11139095 0.66 EGLN1 (0.47) ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080193377-A1 Radiolabeled Nanohybrids Targeting Solid Tumor Neovasculature and Method of Using Same UNIVERSITY OF MARYLAND, BALTIMORE 2008-08-14 US disclosed
EP-1768706-A2 RADIOLABELED NANOHYBRIDS TARGETING SOLID TUMOR NEOVASCULATURE AND METHOD OF USING SAME University of Maryland, Baltimore (US) 2007-04-04 EP disclosed
WO-2006012355-A2 RADIOLABELED NANOHYBRIDS TARGETING SOLID TUMOR NEOVASCULATURE AND METHOD OF USING SAME UNIVERSITY OF MARYLAND, BALTIMORE (US) 2006-02-02 WO disclosed