SCHEMBL12010935

SCHEMBL12010935

CCN1Cc2cc(OCCCNc3ccccn3)ccc2CC(CC(=O)O)C1=O

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.81
ITGAV P06756 20/20 0.81
ITGA2B P08514 8/20 0.81
ITGB5 P18084 6/20 0.67
ITGB1 P05556 4/20 0.67
ITGB6 P18564 2/20 0.45

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
SCHEMBL6419346 0.92 ITGB3 (0.82) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6418193 0.91 ITGB3 (0.80) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL21291259 0.91 ITGB3 (0.77) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL328727 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL30856556 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL30856550 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL12948919 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL243383 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL979390 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6418086 0.90 ITGB3 (0.78) ITGB3ITGAVITGA2BITGB5ITGB1

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-9132188-B2 Chemically Programmed Vaccination THE SCRIPPS RESEARCH INSTITUTE (US) 2015-09-15 US disclosed
US-8252902-B2 Complexing antigen, antibodies; immunoassay THE SCRIPPS RESEARCH INSTITUTE (US) 2012-08-28 US disclosed