SCHEMBL7414733

SCHEMBL7414733

N=C(N)NOCCCOc1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.54
ITGA2B P08514 6/20 0.54
F2 P00734 6/20 0.51
MMP2 P08253 3/20 0.48
MMP9 P14780 2/20 0.48
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
POLB P06746 1/20 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
Trifluoroacetic Acid SCHEMBL7417124 0.96 ITGB3 (0.51) ITGB3ITGA2BF2MMP2MMP9
SCHEMBL7409585 0.90 ITGB3 (0.61) ITGB3ITGA2BMMP2MMP9
SCHEMBL7409554 0.90 MMP2 (0.61) ITGB3ITGA2BMMP2MMP9
SCHEMBL7531183 0.87 ITGB3 (0.50) ITGB3ITGA2BMMP2MMP9POLB
SCHEMBL7419820 0.87 ITGB3 (0.48) ITGB3ITGA2BMMP2MMP9POLB
SCHEMBL7418156 0.87 ITGB3 (0.48) ITGB3ITGA2BMMP2MMP9POLB
SCHEMBL7420817 0.87 ITGB3 (0.56) ITGB3ITGA2BMMP2MMP9
SCHEMBL7417130 0.86 F2 (0.45) ITGB3ITGA2BF2
SCHEMBL7414200 0.86 ITGB3 (0.51) ITGB3ITGA2BMMP2MMP9POLB
SCHEMBL7412198 0.86 ITGB3 (0.51) ITGB3ITGA2BMMP2MMP9POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6344484-B1 TREATMENT OF TUMOR GROWTH, METASTASIS, OSTEOPOROSIS, RESTENOSIS, INFLAMMATION, MACULAR DEGENERATION, DIABETIC RETINOPATHY, AND RHEUMATOID ARTHRITIS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-02-05 US claimed
EP-1159262-A1 TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-12-05 EP claimed
WO-2000047552-A1 TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO claimed