SCHEMBL337320

SCHEMBL337320

COC(=O)C[C@@H]1Nc2ccc(C(=O)N(C)Cc3nc4ccccc4[nH]3)cc2CN(CCNC(=O)CCCCCNC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.62
ITGAV P06756 20/20 0.62
ITGA2B P08514 1/20 0.57

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
SCHEMBL344876 0.91 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL5972587 0.89 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL5972408 0.88 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL5973018 0.85 ITGB3 (0.71) ITGB3ITGAVITGA2B
SCHEMBL336839 0.84 ITGB3 (0.73) ITGB3ITGAVITGA2B
SCHEMBL336834 0.83 VDR (0.46) ITGB3ITGAVITGA2B
SCHEMBL336864 0.81 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL8738816 0.81 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL5972537 0.80 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL5972483 0.80 ITGB3 (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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