SCHEMBL336834

SCHEMBL336834

COC(=O)C[C@@H]1Nc2ccc(C(=O)O)cc2CN(CCNC(=O)CCCCCNC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.46
ITGB3 P05106 13/20 0.42
ITGAV P06756 12/20 0.42
PLK1 P53350 1/20 0.38
ITGA2B P08514 3/20 0.38
CYP3A4 P08684 1/20 0.38
CACNA1G O43497 1/20 0.38

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
SCHEMBL5972640 0.92 VDR (0.48) VDRITGB3ITGAVITGA2BCACNA1G
SCHEMBL5972894 0.91 VDR (0.49) VDRITGB3ITGAVITGA2B
SCHEMBL5972711 0.87 VDR (0.46) VDRITGB3ITGAVITGA2B
SCHEMBL337308 0.86 VDR (0.48) VDRITGB3ITGAVITGA2B
SCHEMBL337320 0.83 ITGB3 (0.62) ITGB3ITGAVITGA2B
SCHEMBL5972558 0.81 ITGB3 (0.48) VDRITGB3ITGAVITGA2B
SCHEMBL5973364 0.79 ITGB3 (0.49) VDRITGB3ITGAVITGA2B
SCHEMBL7668371 0.77 ITGB3 (0.58) ITGB3ITGAVITGA2B
SCHEMBL337310 0.77 ITGB3 (0.48) ITGB3ITGAVITGA2B
SCHEMBL5155928 0.74 ITGB3 (0.57) ITGB3ITGAVITGA2B

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
EP-1443963-B1 ANTIBODY TARGETING COMPOUNDS SCRIPPS RESEARCH INST (US) 2014-05-21 EP disclosed
US-8252902-B2 Complexing antigen, antibodies; immunoassay THE SCRIPPS RESEARCH INSTITUTE (US) 2012-08-28 US disclosed
EP-2428226-A1 Antibody targeting compounds THE SCRIPPS RESEARCH INSTITUTE (US) 2012-03-14 EP disclosed