SCHEMBL337310

SCHEMBL337310

COC(=O)C[C@@H]1Nc2ccc(C(=O)O)cc2CN(CCN)C1=O

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.48
ITGAV P06756 14/20 0.48
ITGA2B P08514 9/20 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
SCHEMBL7668371 0.90 ITGB3 (0.58) ITGB3ITGAVITGA2B
SCHEMBL5155928 0.86 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL4024909 0.86 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL4023860 0.86 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL5972894 0.82 VDR (0.49) ITGB3ITGAVITGA2B
SCHEMBL7071602 0.82 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL7485245 0.82 ITGB3 (0.44) ITGB3ITGAVITGA2B
SCHEMBL8467386 0.81 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL5972640 0.81 VDR (0.48) ITGB3ITGAVITGA2B
SCHEMBL5972711 0.78 VDR (0.46) 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 4 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-1446418-B1 INTEGRIN TARGETING COMPOUNDS SCRIPPS RESEARCH INST (US) 2012-05-23 EP disclosed
EP-2428226-A1 Antibody targeting compounds THE SCRIPPS RESEARCH INSTITUTE (US) 2012-03-14 EP disclosed