SCHEMBL7409554

SCHEMBL7409554

N=C(N)NOCCCOc1ccc(C[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.61
MMP9 P14780 9/20 0.61
ADAMTS4 O75173 2/20 0.61
ITGB3 P05106 4/20 0.56
ITGA2B P08514 4/20 0.56
MMP13 P45452 3/20 0.56
MMP3 P08254 2/20 0.56
ADAMTS5 Q9UNA0 1/20 0.56
MMP1 P03956 1/20 0.56
MMP7 P09237 1/20 0.56
MMP14 P50281 1/20 0.53

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 SCHEMBL7408393 0.95 MMP2 (0.56) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL7409585 0.95 ITGB3 (0.61) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL7420817 0.91 ITGB3 (0.56) MMP2MMP9ADAMTS4ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7417586 0.90 ITGB3 (0.59) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL7411712 0.90 TDP1 (0.59) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL7412146 0.90 MMP2 (0.56) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL7410503 0.90 ITGB3 (0.52) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL7420563 0.90 MMP2 (0.61) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL7417646 0.90 MMP2 (0.56) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL7415221 0.90 ITGB3 (0.53) MMP2MMP9ADAMTS4ITGB3ITGA2B

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