SCHEMBL8319824

SCHEMBL8319824

O=C(CCC1Oc2ccc(C[C@H](NS(=O)(=O)c3cccnc3)C(=O)O)cc2NC1=O)Nc1ncc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 12/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ITGB3 P05106 17/20 0.37
ITGA2B P08514 12/20 0.37
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7159632 0.94 ITGB3 (0.40) ITGAVITGB3ITGA2B
SCHEMBL13170305 0.87 HSD17B10 (0.47) ITGAVMAPTTSHRHSD17B10ITGB3
SCHEMBL7368163 0.86 BACE1 (0.39) ITGAVMAPTTSHRHSD17B10ITGB3
SCHEMBL7163732 0.86 TSHR (0.41) ITGAVMAPTTSHRHSD17B10ITGB3
SCHEMBL7163713 0.86 ITGB3 (0.40) ITGAVMAPTTSHRHSD17B10ITGB3
SCHEMBL7160779 0.85 ITGB3 (0.45) ITGAVMAPTTSHRHSD17B10ITGB3
SCHEMBL7159817 0.85 ITGB3 (0.45) ITGAVITGB3ITGA2B
SCHEMBL8321280 0.84 ITGB3 (0.37) ITGAVMAPTTSHRHSD17B10ITGB3
SCHEMBL7165010 0.83 ITGB3 (0.41) ITGAVTSHRHSD17B10ITGB3ITGA2B
SCHEMBL4685325 0.82 TSHR (0.38) ITGAVMAPTTSHRHSD17B10ITGB3

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-7803399-B2 Delivery system for nucleic acids THE SCRIPPS RESEARCH INSTITUTE (US) 2010-09-28 US disclosed
WO-2004087057-A2 METHODS FOR INHIBITION OF ANGIOGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2004-10-14 WO disclosed