SCHEMBL8682178

SCHEMBL8682178

Cc1noc(C)c1S(=O)(=O)NC(CNC(=O)c1cccc2cn[nH]c12)C(=O)OCCCNc1ncc[nH]1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.52
ITGAV P06756 20/20 0.52
ITGA2B P08514 19/20 0.52

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
SCHEMBL8683388 0.89 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL8681923 0.89 ITGB3 (0.41) ITGB3ITGAVITGA2B
SCHEMBL8682242 0.87 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL8684527 0.86 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL8682045 0.86 ITGB3 (0.42) ITGB3ITGAVITGA2B
SCHEMBL8684581 0.86 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL8687829 0.86 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL8682642 0.79 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL8682166 0.79 ITGB3 (0.42) ITGB3ITGAVITGA2B
SCHEMBL7982741 0.79 ITGB3 (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760028-A TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-02 US disclosed