Sugi Predict

Sugi Predict / Compounds / SCHEMBL8738816

SCHEMBL8738816

SCHEMBL8738816

CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2c(c1)CN(CCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]3NC(=O)N[C@@H]31)C(=O)[C@H](CC(=O)O)N2

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.64
▸ ITGAV P06756 20/20 0.64
▸ ITGA2B P08514 1/20 0.61

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
SCHEMBL336864 1.00 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL8467626 0.89 ITGB3 (0.62) ITGB3ITGAVITGA2B
SCHEMBL336839 0.87 ITGB3 (0.73) ITGB3ITGAVITGA2B
SCHEMBL336429 0.82 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL344876 0.81 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL337320 0.81 ITGB3 (0.62) ITGB3ITGAVITGA2B
SCHEMBL5972587 0.80 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL5972809 0.80 ITGB3 (0.81) ITGB3ITGAVITGA2B
SCHEMBL5972408 0.79 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL7072095 0.79 ITGB3 (1.00) 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
EP-1443963-B1 ANTIBODY TARGETING COMPOUNDS SCRIPPS RESEARCH INST (US) 2014-05-21 — — EP disclosed
EP-1446418-B1 INTEGRIN TARGETING COMPOUNDS SCRIPPS RESEARCH INST (US) 2012-05-23 — — EP disclosed